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CHEMBRIDGE-ZINC02458471

 MMsINC code: MMs00709415
Type: Neutral
Formula: C15H16ClNO2S2
SMILES:   Clc1ccc(SCC(=O)NCCSCc2occc2)cc1
InChI:   InChI=1/C15H16ClNO2S2/c16-12-3-5-14(6-4-12)21-11-15(18)17-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-11H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=57.0872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.883 g/mol  logS: -5.82449  SlogP: 4.3411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146148  Sterimol/B1: 2.97932  Sterimol/B2: 3.49537  Sterimol/B3: 3.62187
  Sterimol/B4: 4.32158  Sterimol/L: 22.0492 
 
 Surface and Volume Properties
  Accessible surface: 613.623  Positive charged surface: 300.908  Negative charged surface: 312.715  Volume: 305.625
  Hydrophobic surface: 480.361  Hydrophilic surface: 133.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.