Mrv0541 02231217162D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
DB03904

> <DATABASE_NAME>
drugbank

> <SMILES>
NC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

> <INCHI_KEY>
XSQUKJJJFZCRTK-UHFFFAOYSA-N

> <FORMULA>
CH4N2O

> <MOLECULAR_WEIGHT>
60.0553

> <EXACT_MASS>
60.03236276

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.4258194749988955e-09

> <JCHEM_AVERAGE_POLARIZABILITY>
5.102881409078858

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
urea

> <ALOGPS_LOGP>
-1.78

> <JCHEM_LOGP>
-1.3638338616666665

> <ALOGPS_LOGS>
0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.731965106806724

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3686972237578967

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
13.1426

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03904

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03203

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Urea

> <SYNONYMS>
Carbamide; Carbonyldiamide; Harnstoff; Karbamid; Urea; Urée

> <PRODUCTS>
Aluvea; Amino-cerv; Bare 20; Bare 40; Bare 40 HA; Bare 40 Plus HA; Bare 40 Plus SA; Bare 40 SA; CEM-Urea; Calmurid Crm; Calmurid HC Crm; Carb-O-Philic; Carbamex 330mgms; Carmol 40; Ciclopirox 3% / Itraconazole 5% / Urea 20%; Clear 40; Clear 40 Plus HA; Clear 40 Plus SA; Clear 50 Nail Gel; Coppermagic Pain Relief Balm; Cream; Dermasorb XM Complete Kit; Dermetazole; Dr. Scholl's Cracked Heel Relief Cream; Flexitol Heel Balm; Gehwol FUSSKRAFT Callus Softener; Gehwol med Callus; Gehwol med Lipidro; Gordons Urea 40; Heel Balm; Hyaluronic Acid Sodium Salt 1% / Tacrolimus 0.1% / Urea 20%; Hydro 35; Hydrophil Ont; Kerafoam; Kerafoam 42; Keralac; Keralac Nailstik; Kerasal Topical Solution; Keratol 40; Keratol 45 Nail; Keratol 45 cream; Kerol AD; Lactic Acid 10% / Urea 40%; Latrix; MeTopic; Miin Foot; Miracle FootCream Lavender; Miracle FootCream Lemon; Not Applicable; Noxipak; Pedipak; Podiatrole; Pro-39 Urea; Psoricare Crm 3%; RE Urea; Re Urea; Rea Lo 39; Rea Lo 40; Remeven; Revitaderm 40; Rynoderm; Thomas Formula No 17; Thomas Formula No 28; Thomas Formula No 47; Ti-U-lac HC Lotion; Ti-U-lac Lotion; U40; Umecta Mousse Urea; Umecta PD Urea; Umecta Urea; Uramaxin; Uramaxin GT; Uramaxin Pads; Uramaxin TS; Ure-39; Ure-K; Urea; Urea 20; Urea 39% Cream; Urea 39.5%; Urea 39.5% with 2% Salicylic Acid; Urea 40; Urea 40 Nail Gel; Urea 40 Percent; Urea 40 Plus HA; Urea 40 Plus SA; Urea 40%; Urea 41 Percent; Urea 41%; Urea 47; Urea 47% Cream; Urea 50; Urea 50% Emulsion; Urea Cream 40 Percent; Urea Cream 40%; Urea Cream 41%; Urea Gel 40%; Urea Hydrating Topical; Urea Nail; Urealac; Urederm Cream 10%; Uremol; Uremol 10 Crm 10%; Uremol 10 Lotion 10%; Uremol 20% cream; Uremol HC; Urevaz; Utopic; Velvelan Crm 10%; Velvelan Lot 10%; W.skin Cica Foot Peeling; X Viate; X-Viate; Xurea; YouGreen F

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