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APOLLO-ZINC02567847

 MMsINC code: MMs00054354
Type: Neutral
Formula: C8H8ClFO
SMILES:   Clc1ccc(OCC)cc1F
InChI:   InChI=1/C8H8ClFO/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.602 g/mol  logS: -2.79174  SlogP: 2.8778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251013  Sterimol/B1: 2.37557  Sterimol/B2: 2.37657  Sterimol/B3: 3.73794
  Sterimol/B4: 4.23181  Sterimol/L: 12.2958 
 
 Surface and Volume Properties
  Accessible surface: 351.397  Positive charged surface: 174.1  Negative charged surface: 177.297  Volume: 153.5
  Hydrophobic surface: 320.751  Hydrophilic surface: 30.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.