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ENAMINE-ZINC03341776

 MMsINC code: MMs01383537
Type: Ionized
Formula: C13H11ClFN2O4S2-
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(S(=O)([O-])=[NH])cc2)ccc1F
InChI:   InChI=1/C13H11ClFN2O4S2/c14-12-7-11(5-6-13(12)15)23(20,21)17-8-9-1-3-10(4-2-9)22(16,18)19/h1-7,17H,8H2,(H-,16,18,19)/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.824 g/mol  logS: -4.27103  SlogP: 2.1956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856904  Sterimol/B1: 2.77786  Sterimol/B2: 4.42955  Sterimol/B3: 4.76816
  Sterimol/B4: 5.79077  Sterimol/L: 15.9124 
 
 Surface and Volume Properties
  Accessible surface: 556.197  Positive charged surface: 197.173  Negative charged surface: 359.024  Volume: 288.125
  Hydrophobic surface: 365.29  Hydrophilic surface: 190.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  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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MMs01383536
ENAMINE-ZINC03341776