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CHEMBRIDGE-ZINC04868352

 MMsINC code: MMs00806358
Type: Ionized
Formula: C11H5ClFO3-
SMILES:   Clc1cc(ccc1F)-c1oc(cc1)C(=O)[O-]
InChI:   InChI=1/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.609 g/mol  logS: -4.79075  SlogP: 2.1026  Reactive groups: 0
 
 Topological Properties
  Globularity: 9.69848e-09  Sterimol/B1: 2.09745  Sterimol/B2: 2.0975  Sterimol/B3: 2.91887
  Sterimol/B4: 5.43268  Sterimol/L: 13.2241 
 
 Surface and Volume Properties
  Accessible surface: 409.931  Positive charged surface: 136.865  Negative charged surface: 273.066  Volume: 192.625
  Hydrophobic surface: 311.041  Hydrophilic surface: 98.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs00806357
CHEMBRIDGE-ZINC04868352