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PUBCHEM-ZINC06557658

 MMsINC code: MMs03795529
Type: Neutral
Formula: C14H9ClN2O2S
SMILES:   Clc1sc(cc1)\C=C/1\NC(=O)N(C\1=O)c1ccccc1
InChI:   InChI=1/C14H9ClN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)/b11-8-

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Potential Energy
Epot(MMFF94)=63.5137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.757 g/mol  logS: -5.04984  SlogP: 3.4988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000571922  Sterimol/B1: 2.12999  Sterimol/B2: 2.3062  Sterimol/B3: 3.76108
  Sterimol/B4: 4.54729  Sterimol/L: 16.3744 
 
 Surface and Volume Properties
  Accessible surface: 491.35  Positive charged surface: 194.165  Negative charged surface: 297.185  Volume: 252.875
  Hydrophobic surface: 405.686  Hydrophilic surface: 85.664
 
 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.