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ACROSORGANICS-ZINC00164535

 MMsINC code: MMs00006185
Type: Neutral
Formula: C6H4ClFO
SMILES:   Clc1cc(O)ccc1F
InChI:   InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5447 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: 0.0143815  Sterimol/B1: 2.15063  Sterimol/B2: 2.23836  Sterimol/B3: 2.70882
  Sterimol/B4: 5.54539  Sterimol/L: 8.67149 
 
 Surface and Volume Properties
  Accessible surface: 288.65  Positive charged surface: 117.62  Negative charged surface: 171.031  Volume: 116.5
  Hydrophobic surface: 236.93  Hydrophilic surface: 51.72
 
 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.