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MAYBRIDGE-ZINC01027882

 MMsINC code: MMs02148908
Type: Neutral
Formula: C18H14ClNO3S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc(sc2C(=O)C)-c2ccccc2)cc1
InChI:   InChI=1/C18H14ClNO3S2/c1-12(21)18-16(11-17(24-18)13-5-3-2-4-6-13)20-25(22,23)15-9-7-14(19)8-10-15/h2-11,20H,1H3

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Potential Energy
Epot(MMFF94)=58.3378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.899 g/mol  logS: -6.29513  SlogP: 5.0719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195341  Sterimol/B1: 2.34512  Sterimol/B2: 4.49226  Sterimol/B3: 5.65182
  Sterimol/B4: 9.5906  Sterimol/L: 14.5163 
 
 Surface and Volume Properties
  Accessible surface: 593.113  Positive charged surface: 242.469  Negative charged surface: 350.644  Volume: 329.75
  Hydrophobic surface: 490.321  Hydrophilic surface: 102.792
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.