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PUBCHEM-ZINC00683278

 MMsINC code: MMs02727179
Type: Neutral
Formula: C20H19ClN2O4S2
SMILES:   Clc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C20H19ClN2O4S2/c1-14-3-8-17(9-4-14)28(24,25)22-16-7-12-19(21)20(13-16)23-29(26,27)18-10-5-15(2)6-11-18/h3-13,22-23H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.967 g/mol  logS: -6.39069  SlogP: 4.55844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24209  Sterimol/B1: 2.98018  Sterimol/B2: 4.40743  Sterimol/B3: 4.58132
  Sterimol/B4: 8.92365  Sterimol/L: 12.0072 
 
 Surface and Volume Properties
  Accessible surface: 578.736  Positive charged surface: 256.542  Negative charged surface: 322.194  Volume: 378.5
  Hydrophobic surface: 425.789  Hydrophilic surface: 152.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.