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PUBCHEM-ZINC00875143

 MMsINC code: MMs02740720
Type: Ionized
Formula: C10H4ClFNO2-
SMILES:   Clc1nc2c(cc(F)cc2)c(c1)C(=O)[O-]
InChI:   InChI=1/C10H5ClFNO2/c11-9-4-7(10(14)15)6-3-5(12)1-2-8(6)13-9/h1-4H,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.3917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.598 g/mol  logS: -3.5438  SlogP: 1.3908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104736  Sterimol/B1: 2.43626  Sterimol/B2: 2.55559  Sterimol/B3: 4.73912
  Sterimol/B4: 5.09252  Sterimol/L: 10.1703 
 
 Surface and Volume Properties
  Accessible surface: 373.543  Positive charged surface: 115.334  Negative charged surface: 252.67  Volume: 174.875
  Hydrophobic surface: 264.18  Hydrophilic surface: 109.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs02740719
PUBCHEM-ZINC00875143