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ENAMINE-ZINC03201176

 MMsINC code: MMs01304383
Type: Neutral
Formula: C11H8ClNO4S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(cc2)C(O)=O)cc1
InChI:   InChI=1/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15)

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Potential Energy
Epot(MMFF94)=41.9692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.773 g/mol  logS: -4.02668  SlogP: 2.9005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203037  Sterimol/B1: 2.48595  Sterimol/B2: 4.30223  Sterimol/B3: 5.21161
  Sterimol/B4: 5.47098  Sterimol/L: 13.0789 
 
 Surface and Volume Properties
  Accessible surface: 477.921  Positive charged surface: 182.641  Negative charged surface: 295.28  Volume: 241.5
  Hydrophobic surface: 298.379  Hydrophilic surface: 179.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01304384
ENAMINE-ZINC03201176