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PUBCHEM-ZINC01967186

 MMsINC code: MMs02835236
Type: Neutral
Formula: C24H19Cl2NO4S
SMILES:   Clc1cccc(Cl)c1COc1ccc(cc1OC)\C=C(/S(=O)(=O)c1ccc(cc1)C)\C#N
InChI:   InChI=1/C24H19Cl2NO4S/c1-16-6-9-18(10-7-16)32(28,29)19(14-27)12-17-8-11-23(24(13-17)30-2)31-15-20-21(25)4-3-5-22(20)26/h3-13H,15H2,1-2H3/b19-12+

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Potential Energy
Epot(MMFF94)=119.171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.391 g/mol  logS: -8.05337  SlogP: 6.4942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739226  Sterimol/B1: 2.50984  Sterimol/B2: 2.56523  Sterimol/B3: 5.94718
  Sterimol/B4: 7.50058  Sterimol/L: 21.3438 
 
 Surface and Volume Properties
  Accessible surface: 741.872  Positive charged surface: 347.645  Negative charged surface: 394.228  Volume: 427.125
  Hydrophobic surface: 630.007  Hydrophilic surface: 111.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.