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ASINEX-ZINC02328820

 MMsINC code: MMs00269149
Type: Neutral
Formula: C20H15NS2
SMILES:   s1c2c(nc1SC(c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C20H15NS2/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)23-20-21-17-13-7-8-14-18(17)22-20/h1-14,19H

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Potential Energy
Epot(MMFF94)=87.4218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.479 g/mol  logS: -7.22893  SlogP: 6.2735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123164  Sterimol/B1: 2.52705  Sterimol/B2: 3.51926  Sterimol/B3: 4.31953
  Sterimol/B4: 7.41163  Sterimol/L: 16.4074 
 
 Surface and Volume Properties
  Accessible surface: 565.903  Positive charged surface: 291.94  Negative charged surface: 273.964  Volume: 316.75
  Hydrophobic surface: 504.817  Hydrophilic surface: 61.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.