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ENAMINE-ZINC00134744

 MMsINC code: MMs01225055
Type: Neutral
Formula: C16H12ClNO3S
SMILES:   Clc1cc(NS(=O)(=O)c2ccccc2)c2c(cccc2)c1O
InChI:   InChI=1/C16H12ClNO3S/c17-14-10-15(12-8-4-5-9-13(12)16(14)19)18-22(20,21)11-6-2-1-3-7-11/h1-10,18-19H

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Potential Energy
Epot(MMFF94)=69.1174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.795 g/mol  logS: -5.29694  SlogP: 3.9996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276816  Sterimol/B1: 2.48422  Sterimol/B2: 5.0989  Sterimol/B3: 6.01437
  Sterimol/B4: 6.67748  Sterimol/L: 11.6713 
 
 Surface and Volume Properties
  Accessible surface: 506.302  Positive charged surface: 215.838  Negative charged surface: 281.427  Volume: 280.5
  Hydrophobic surface: 392.785  Hydrophilic surface: 113.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.