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NCID-ZINC01559311

 MMsINC code: MMs02222127
Type: Neutral
Formula: C15H13ClN2O3S2
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NC(=S)c2ccc(cc2)C)cc1
InChI:   InChI=1/C15H13ClN2O3S2/c1-10-2-4-11(5-3-10)14(22)17-15(19)18-23(20,21)13-8-6-12(16)7-9-13/h2-9H,1H3,(H2,17,18,19,22)

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Potential Energy
Epot(MMFF94)=37.9257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.865 g/mol  logS: -6.26798  SlogP: 3.01202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889729  Sterimol/B1: 3.5942  Sterimol/B2: 4.56512  Sterimol/B3: 4.69783
  Sterimol/B4: 5.32978  Sterimol/L: 16.8354 
 
 Surface and Volume Properties
  Accessible surface: 580.754  Positive charged surface: 243.714  Negative charged surface: 337.04  Volume: 305.125
  Hydrophobic surface: 413.179  Hydrophilic surface: 167.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.