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ASINEX-ZINC00933112

 MMsINC code: MMs00225701
Type: Neutral
Formula: C20H19ClN2O4S2
SMILES:   Clc1ccccc1CN(S(=O)(=O)c1ccc(S(=O)(=O)N)cc1)Cc1ccccc1
InChI:   InChI=1/C20H19ClN2O4S2/c21-20-9-5-4-8-17(20)15-23(14-16-6-2-1-3-7-16)29(26,27)19-12-10-18(11-13-19)28(22,24)25/h1-13H,14-15H2,(H2,22,24,25)

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Potential Energy
Epot(MMFF94)=47.1647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.967 g/mol  logS: -5.79514  SlogP: 3.9113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101364  Sterimol/B1: 2.14585  Sterimol/B2: 3.38628  Sterimol/B3: 5.20241
  Sterimol/B4: 8.96129  Sterimol/L: 16.9892 
 
 Surface and Volume Properties
  Accessible surface: 619.911  Positive charged surface: 294.501  Negative charged surface: 325.41  Volume: 380
  Hydrophobic surface: 431.965  Hydrophilic surface: 187.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00225702
ASINEX-ZINC00933112