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ACROSORGANICS-ZINC00389569

 MMsINC code: MMs00007166
Type: Neutral
Formula: C6H4ClFO
SMILES:   Clc1cc(F)c(O)cc1
InChI:   InChI=1/C6H4ClFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.7718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.548 g/mol  logS: -2.0522  SlogP: 2.1847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140714  Sterimol/B1: 2.21057  Sterimol/B2: 2.23346  Sterimol/B3: 2.49735
  Sterimol/B4: 4.98461  Sterimol/L: 9.66898 
 
 Surface and Volume Properties
  Accessible surface: 291.261  Positive charged surface: 115.731  Negative charged surface: 175.529  Volume: 117
  Hydrophobic surface: 240.727  Hydrophilic surface: 50.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.