Mrv1718008311812302D          

 11 11  0  0  0  0            999 V2000
    1.0735   -0.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735    0.4197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7682   -0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779    0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0687   -0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  6  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
> <DATABASE_ID>
DB01577

> <DATABASE_NAME>
drugbank

> <SMILES>
CN[C@@H](C)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1

> <INCHI_KEY>
MYWUZJCMWCOHBA-VIFPVBQESA-N

> <FORMULA>
C10H15N

> <MOLECULAR_WEIGHT>
149.2328

> <EXACT_MASS>
149.120449485

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.03959761003904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl[(2S)-1-phenylpropan-2-yl]amine

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
2.2368308753333324

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.20988414728296

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
48.47980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methamphetamine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01577

> <DRUG_GROUPS>
approved; illicit; withdrawn

> <GENERIC_NAME>
Metamfetamine

> <SYNONYMS>
(+)-(S)-N-α-dimethylphenethylamine; (S)-N,α-dimethylbenzeneethanamine; (αS)-N,α-dimethylbenzeneethanamine; d-1-phenyl-2-methylaminopropane; d-deoxyephedrine; d-desoxyephedrine; d-N-methylamphetamine; d-phenylisopropylmethylamine; Dextromethamphetamine; Métamfétamine; Metamfetamine; Metamfetaminum; Metanfetamina; Methamphetamine; Methamphetaminum; methyl-β-phenylisopropylamine

> <PRODUCTS>
Desoxyn; Methamphetamine Hydrochloride

> <SALTS>
Metamfetamine hydrochloride; Metamfetamine tartrate

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