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PUBCHEM-ZINC05901295

 MMsINC code: MMs03436240
Type: Neutral
Formula: C18H14ClNO3S
SMILES:   Clc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1
InChI:   InChI=1/C18H14ClNO3S/c19-14-5-4-6-15(13-14)20-24(21,22)18-11-9-17(10-12-18)23-16-7-2-1-3-8-16/h1-13,20H

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Potential Energy
Epot(MMFF94)=65.8733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.833 g/mol  logS: -5.56372  SlogP: 4.9331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11426  Sterimol/B1: 4.0043  Sterimol/B2: 4.50846  Sterimol/B3: 4.64046
  Sterimol/B4: 5.68788  Sterimol/L: 15.2622 
 
 Surface and Volume Properties
  Accessible surface: 572.76  Positive charged surface: 262.721  Negative charged surface: 310.039  Volume: 311.875
  Hydrophobic surface: 492.768  Hydrophilic surface: 79.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.