Mrv1718012141812462D          

 17 17  0  0  0  0            999 V2000
   -2.5265    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786   -0.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507    0.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -0.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2357   -0.2891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3498    0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -1.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352   -1.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215    1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 16  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00423

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=C(OCC(O)COC(N)=O)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)

> <INCHI_KEY>
GNXFOGHNGIVQEH-UHFFFAOYSA-N

> <FORMULA>
C11H15NO5

> <MOLECULAR_WEIGHT>
241.2405

> <EXACT_MASS>
241.095022595

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
24.275224898024682

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
0.4450462073333332

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.81327126592846

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.595917919817158

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3962357043964646

> <JCHEM_POLAR_SURFACE_AREA>
91.01

> <JCHEM_REFRACTIVITY>
59.067400000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methocarbamol (inn)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00423

> <SECONDARY_ACCESSION_NUMBERS>
APRD01102

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Methocarbamol

> <SYNONYMS>
(RS)-2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate; Methocarbamol; Méthocarbamol; Methocarbamolum; Metocarbamol; Metocarbamolo

> <PRODUCTS>
A.S.A. With Methocarbamol Night-time Extra Strength; Acetaminophen 325mg + Methocarbamol 400mg Caplets; Acetaminophen 500mg + Methocarbamol 400mg Extra Strength Caplets; Advil Back Pain; Analgesic and Muscle Relaxant; Analgesic and Muscle Relaxant Caplets; Aspirin Backache; Aspirin Night-time; Axacet-C1/8; Axisal-C1/8; Axum; Dodd's Back-ease Muscle Spasm and Back Pain Relief; Dodd's Extra Strength Back-ease; Douleurs Musculaires Et Les Courbatures Extra Fort/muscle and Back Pain Relief Extra Strength; Extra Strength Aspirin Backache; Extra Strength Back Pain; Extra Strength Body Pain Night; Extra Strength Muscle & Back Pain Asa 500 Mg Methocarbamol 400 Mg & Acetylsalicylic Acid 500 mg; Extra Strength Muscle & Back Pain Relief; Extra Strength Muscle & Back Pain Relief With Asa; Extra Strength Tylenol Back Pain; Extra Strength Tylenol Body Pain Night; Ibuprofen+methocarbamol Caplets; Methcarbamol; Methocarb 500-EZS; Methocarbamol; Methocarbamol Granules DC 90%; Methocarbamol Inj 100mg/ml; Methocarbamol Omega; Methocarbamol Tablets, USP, 500 mg; Methocarbamol Tablets, USP, 750 mg; Methocarbamol and Aspirin; Methocarbomal Granules DC 90%; Methoxacet; Methoxacet Extra Strength; Methoxacet-C 1/8; Methoxisal; Methoxisal Extra Strength; Methoxisal-C 1/2; Methoxisal-C 1/4; Methoxisal-C 1/8; Midol Night-time; Motrin Platinum Muscle & Body; Muscle & Back Pain Asa 325 Mg Methocarbamol 400 Mg & Acetylsalicylic Acid 325 mg; Muscle & Back Pain Relief; Muscle & Back Pain Relief - 8; Muscle & Back Pain Relief Caplets; Muscle & Back Pain Relief Extra Strength; Muscle & Back Pain Relief With Ibuprofen; Muscle & Back Pain Relief-8; Muscle Relaxant and Analgesic; Muscle Relaxant and Analgesic Caplets; Muscle Relaxant and Back Pain Relief Extra Strength Tablets; Muscle Relaxant and Back Pain Relief Regular Strength Tablets; Muscle and Back Pain Platinum Relief; Muscle and Back Pain Relief; Muscle and Back Pain Relief - 8 Tablets; Muscle and Back Pain Relief Caplets; Muscle and Back Pain Relief Extra Strength; Muscle and Back Pain Relief Regular Strength Tablets; Muscle and Back Pain Relief With Asa; Muscle and Back Pain Relief With Asa Extra Strength; Muscle and Back Pain Relief-8; Nighttime Body Pain; PMS-methocarbamol Inj 100mg/ml; Platinum Muscle and Back Pain Relief; Regular Strength Analgesic & Muscle Relaxant Caplets; Regular Strength Tylenol Back Pain; Regular Strength Tylenol Body Pain Night; Relaxophen Caplets; Robax Platinum; Robaxacet; Robaxacet Extra Strength; Robaxacet Tablets; Robaxacet-8; Robaximol Inj 100mg/ml; Robaxin; Robaxin 750; Robaxin Inj 100mg/ml; Robaxin Injectable Liq 100mg/ml; Robaxisal C 1/2; Robaxisal C 1/4; Robaxisal C-1/8 Tablets; Robaxisal Caplets; Robaxisal Extra Strength; Robaxisal Tablets; Soulagement Des Douleurs Musculaires & Courbatures Extra Fort; Spasmhalt-8; Spasmhalt-asa-8; Summit Ultra; Super Extra Strength Aspirin Backache

> <INTERNATIONAL_BRANDS>
Bolaxin; Carbaflex; Delaxin; DoloVisan; Fubaxin; Lumirelax; Metocarbamol; Mioflex; Miorel; Musxan; Ortoton; Rebamol; Robaxin-750; Robinax; Sinaxar; Taspan

$$$$