Mrv1572004221607032D          

 30 33  0  0  0  0            999 V2000
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  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  6  1  0  0  0  0
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 13 12  2  0  0  0  0
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M  END
> <DATABASE_ID>
DB13434

> <DATABASE_NAME>
drugbank

> <SMILES>
ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CC=C(SC2=CC=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2

> <INCHI_KEY>
ZCJYUTQZBAIHBS-UHFFFAOYSA-N

> <FORMULA>
C24H20Cl2N2OS

> <MOLECULAR_WEIGHT>
455.4

> <EXACT_MASS>
454.0673398

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
47.63127587177988

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole

> <ALOGPS_LOGP>
6.31

> <JCHEM_LOGP>
6.937028471333333

> <ALOGPS_LOGS>
-6.17

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.767291901775012

> <JCHEM_POLAR_SURFACE_AREA>
27.05

> <JCHEM_REFRACTIVITY>
126.14209999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lomexin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13434

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Fenticonazole

> <SYNONYMS>
Fenticonazole

> <SALTS>
Fenticonazole nitrate

$$$$