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IFLAB-ZINC02711520

 MMsINC code: MMs01998720
Type: Neutral
Formula: C16H15ClN2O2S2
SMILES:   Clc1ccc(cc1)CSC1=NCCN1S(=O)(=O)c1ccccc1
InChI:   InChI=1/C16H15ClN2O2S2/c17-14-8-6-13(7-9-14)12-22-16-18-10-11-19(16)23(20,21)15-4-2-1-3-5-15/h1-9H,10-12H2

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Potential Energy
Epot(MMFF94)=32.3373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.893 g/mol  logS: -5.49771  SlogP: 3.9001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859455  Sterimol/B1: 2.34408  Sterimol/B2: 3.08717  Sterimol/B3: 4.70337
  Sterimol/B4: 8.92665  Sterimol/L: 16.3933 
 
 Surface and Volume Properties
  Accessible surface: 581.354  Positive charged surface: 299.701  Negative charged surface: 281.653  Volume: 317.25
  Hydrophobic surface: 498.171  Hydrophilic surface: 83.183
 
 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.