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ENAMINE-ZINC03256756

 MMsINC code: MMs01333947
Type: Neutral
Formula: C14H12ClNOS
SMILES:   Clc1ccccc1NC(=O)c1sc2CCCc2c1
InChI:   InChI=1/C14H12ClNOS/c15-10-5-1-2-6-11(10)16-14(17)13-8-9-4-3-7-12(9)18-13/h1-2,5-6,8H,3-4,7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=71.5829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.775 g/mol  logS: -4.46942  SlogP: 4.14244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188763  Sterimol/B1: 2.4667  Sterimol/B2: 2.46984  Sterimol/B3: 3.32341
  Sterimol/B4: 6.15289  Sterimol/L: 15.9781 
 
 Surface and Volume Properties
  Accessible surface: 485.023  Positive charged surface: 257.546  Negative charged surface: 227.477  Volume: 248.625
  Hydrophobic surface: 451.425  Hydrophilic surface: 33.598
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.