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ENAMINE-ZINC00470394

 MMsINC code: MMs01231106
Type: Neutral
Formula: C12H10ClNO3S2
SMILES:   Clc1sc(S(=O)(=O)Nc2cc(ccc2)C(=O)C)cc1
InChI:   InChI=1/C12H10ClNO3S2/c1-8(15)9-3-2-4-10(7-9)14-19(16,17)12-6-5-11(13)18-12/h2-7,14H,1H3

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Potential Energy
Epot(MMFF94)=46.9511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.801 g/mol  logS: -4.36955  SlogP: 3.4049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179527  Sterimol/B1: 3.58109  Sterimol/B2: 4.32632  Sterimol/B3: 4.44697
  Sterimol/B4: 5.59428  Sterimol/L: 12.3053 
 
 Surface and Volume Properties
  Accessible surface: 487.652  Positive charged surface: 196.416  Negative charged surface: 291.236  Volume: 254.625
  Hydrophobic surface: 365.883  Hydrophilic surface: 121.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.