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APOLLO-ZINC00160402

 MMsINC code: MMs00045797
Type: Neutral
Formula: C14H8Cl2N2OS
SMILES:   Clc1ncccc1NC(=O)c1c2c(sc1Cl)cccc2
InChI:   InChI=1/C14H8Cl2N2OS/c15-12-9(5-3-7-17-12)18-14(19)11-8-4-1-2-6-10(8)20-13(11)16/h1-7H,(H,18,19)

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Potential Energy
Epot(MMFF94)=71.3337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.203 g/mol  logS: -5.68826  SlogP: 4.8554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642893  Sterimol/B1: 2.52983  Sterimol/B2: 2.62724  Sterimol/B3: 4.97453
  Sterimol/B4: 7.66114  Sterimol/L: 14.4386 
 
 Surface and Volume Properties
  Accessible surface: 503.502  Positive charged surface: 192.534  Negative charged surface: 306.002  Volume: 265.125
  Hydrophobic surface: 451.118  Hydrophilic surface: 52.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.