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ENAMINE-ZINC03885259

 MMsINC code: MMs01527128
Type: Neutral
Formula: C11H8ClNO2S2
SMILES:   Cl\C(=N\S(=O)(=O)c1sccc1)\c1ccccc1
InChI:   InChI=1/C11H8ClNO2S2/c12-11(9-5-2-1-3-6-9)13-17(14,15)10-7-4-8-16-10/h1-8H/b13-11-

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Potential Energy
Epot(MMFF94)=45.8699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.775 g/mol  logS: -4.61776  SlogP: 3.1224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451758  Sterimol/B1: 3.16211  Sterimol/B2: 3.30128  Sterimol/B3: 3.91391
  Sterimol/B4: 6.17649  Sterimol/L: 14.1656 
 
 Surface and Volume Properties
  Accessible surface: 471.649  Positive charged surface: 167.089  Negative charged surface: 304.559  Volume: 231.125
  Hydrophobic surface: 361.377  Hydrophilic surface: 110.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.