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ENAMINE-ZINC03204806

 MMsINC code: MMs01305504
Type: Ionized
Formula: C11H7ClNO4S2-
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)/p-1

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Potential Energy
Epot(MMFF94)=5.36813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.765 g/mol  logS: -4.28713  SlogP: 1.5658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.385739  Sterimol/B1: 3.43789  Sterimol/B2: 4.17311  Sterimol/B3: 5.13082
  Sterimol/B4: 6.08517  Sterimol/L: 10.5759 
 
 Surface and Volume Properties
  Accessible surface: 448.953  Positive charged surface: 142.238  Negative charged surface: 306.716  Volume: 238.25
  Hydrophobic surface: 310.124  Hydrophilic surface: 138.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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:


MMs01305503
ENAMINE-ZINC03204806