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PUBCHEM-ZINC01231136

 MMsINC code: MMs02790768
Type: Neutral
Formula: C10H6ClNO2S
SMILES:   Clc1ccccc1\C=C\1/SC(=O)NC/1=O
InChI:   InChI=1/C10H6ClNO2S/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-

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Potential Energy
Epot(MMFF94)=46.0319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.682 g/mol  logS: -3.82495  SlogP: 2.6639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011762  Sterimol/B1: 2.14661  Sterimol/B2: 2.55241  Sterimol/B3: 2.87371
  Sterimol/B4: 6.50346  Sterimol/L: 11.8963 
 
 Surface and Volume Properties
  Accessible surface: 394.681  Positive charged surface: 153.863  Negative charged surface: 240.818  Volume: 191.875
  Hydrophobic surface: 230.18  Hydrophilic surface: 164.501
 
 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.