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CHEMDIV-ZINC02838667

 MMsINC code: MMs00888220
Type: Neutral
Formula: C10H9ClN2O4S3
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(S(=O)(=O)N)cc2)cc1
InChI:   InChI=1/C10H9ClN2O4S3/c11-9-5-6-10(18-9)20(16,17)13-7-1-3-8(4-2-7)19(12,14)15/h1-6,13H,(H2,12,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.4663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.843 g/mol  logS: -4.28389  SlogP: 1.8497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154035  Sterimol/B1: 2.46855  Sterimol/B2: 3.78188  Sterimol/B3: 5.10318
  Sterimol/B4: 6.0318  Sterimol/L: 14.1043 
 
 Surface and Volume Properties
  Accessible surface: 508.134  Positive charged surface: 184.917  Negative charged surface: 323.217  Volume: 256.5
  Hydrophobic surface: 292.506  Hydrophilic surface: 215.628
 
 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: 1
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Ions/Tautomers related molecules


MMs00888221
CHEMDIV-ZINC02838667