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ENAMINE-ZINC03204806

 MMsINC code: MMs01305503
Type: Neutral
Formula: C11H8ClNO4S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccccc2C(O)=O)cc1
InChI:   InChI=1/C11H8ClNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-4-2-1-3-7(8)11(14)15/h1-6,13H,(H,14,15)

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Potential Energy
Epot(MMFF94)=47.5529 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: 0.34273  Sterimol/B1: 3.10575  Sterimol/B2: 4.24015  Sterimol/B3: 5.15841
  Sterimol/B4: 6.44247  Sterimol/L: 10.8025 
 
 Surface and Volume Properties
  Accessible surface: 466.142  Positive charged surface: 184.423  Negative charged surface: 281.719  Volume: 240.25
  Hydrophobic surface: 310.028  Hydrophilic surface: 156.114
 
 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


MMs01305504
ENAMINE-ZINC03204806