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ACROSORGANICS-ZINC00732122

 MMsINC code: MMs00008111
Type: Ionized
Formula: C7H3ClFO2-
SMILES:   Clc1cc(cc(F)c1)C(=O)[O-]
InChI:   InChI=1/C7H4ClFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.0441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.55 g/mol  logS: -2.644  SlogP: 0.8426  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.4561e-08  Sterimol/B1: 2.09705  Sterimol/B2: 2.0975  Sterimol/B3: 2.76271
  Sterimol/B4: 5.8025  Sterimol/L: 9.34154 
 
 Surface and Volume Properties
  Accessible surface: 311.57  Positive charged surface: 87.3587  Negative charged surface: 224.212  Volume: 134.125
  Hydrophobic surface: 223.309  Hydrophilic surface: 88.261
 
 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:


MMs00008110
ACROSORGANICS-ZINC00732122