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ASINEX-ZINC00625111

 MMsINC code: MMs00142301
Type: Neutral
Formula: C17H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)N(Cc1ccccc1)C)cc(Cl)cc2
InChI:   InChI=1/C17H13Cl2NOS/c1-20(10-11-5-3-2-4-6-11)17(21)16-15(19)13-8-7-12(18)9-14(13)22-16/h2-9H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.269 g/mol  logS: -6.31485  SlogP: 5.7467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733535  Sterimol/B1: 2.11123  Sterimol/B2: 3.53553  Sterimol/B3: 4.04459
  Sterimol/B4: 6.77915  Sterimol/L: 16.5044 
 
 Surface and Volume Properties
  Accessible surface: 544.902  Positive charged surface: 248.718  Negative charged surface: 291.25  Volume: 303.5
  Hydrophobic surface: 519.199  Hydrophilic surface: 25.703
 
 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.