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CHEMDIV-ZINC00254267

 MMsINC code: MMs00846650
Type: Neutral
Formula: C15H13Cl2NOS
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1c2CCCCc2sc1
InChI:   InChI=1/C15H13Cl2NOS/c16-9-5-6-12(17)13(7-9)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h5-8H,1-4H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=56.7788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.247 g/mol  logS: -5.56601  SlogP: 5.18594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283504  Sterimol/B1: 2.91738  Sterimol/B2: 3.19536  Sterimol/B3: 4.38497
  Sterimol/B4: 5.92186  Sterimol/L: 14.8773 
 
 Surface and Volume Properties
  Accessible surface: 522.034  Positive charged surface: 236.928  Negative charged surface: 285.105  Volume: 279.625
  Hydrophobic surface: 499.888  Hydrophilic surface: 22.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.