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ENAMINE-ZINC06441083

 MMsINC code: MMs01663390
Type: Neutral
Formula: C14H11ClFNO4S
SMILES:   Clc1cc(F)c(NS(=O)(=O)c2ccccc2C(OC)=O)cc1
InChI:   InChI=1/C14H11ClFNO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(15)8-11(12)16/h2-8,17H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.7642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.762 g/mol  logS: -4.45772  SlogP: 3.0665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271169  Sterimol/B1: 2.34292  Sterimol/B2: 3.86662  Sterimol/B3: 4.9699
  Sterimol/B4: 7.81765  Sterimol/L: 13.492 
 
 Surface and Volume Properties
  Accessible surface: 500.713  Positive charged surface: 248.086  Negative charged surface: 252.627  Volume: 273.75
  Hydrophobic surface: 417.375  Hydrophilic surface: 83.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.