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CHEMDIV-ZINC01196409

 MMsINC code: MMs00863973
Type: Ionized
Formula: C19H12Cl2NO6S2-
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cc(ccc1)C(=O)[O
-]
InChI:   InChI=1/C19H13Cl2NO6S2/c20-13-4-6-15(7-5-13)29(25,26)16-8-9-17(21)18(11-16)30(27,28)22-14-3-1-2-12(10-14)19(23)24/h1-11,22H,(H,23,24)/p-1

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Potential Energy
Epot(MMFF94)=49.4649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.344 g/mol  logS: -6.7097  SlogP: 2.9905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221669  Sterimol/B1: 2.39206  Sterimol/B2: 4.73557  Sterimol/B3: 5.30748
  Sterimol/B4: 8.18887  Sterimol/L: 16.0251 
 
 Surface and Volume Properties
  Accessible surface: 641.119  Positive charged surface: 213.803  Negative charged surface: 427.316  Volume: 375.625
  Hydrophobic surface: 417.877  Hydrophilic surface: 223.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs00863972
CHEMDIV-ZINC01196409