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ENAMINE-ZINC03247563

 MMsINC code: MMs01328752
Type: Neutral
Formula: C14H10ClFO2
SMILES:   Clc1cc(ccc1)COC(=O)c1ccccc1F
InChI:   InChI=1/C14H10ClFO2/c15-11-5-3-4-10(8-11)9-18-14(17)12-6-1-2-7-13(12)16/h1-8H,9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.0488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.683 g/mol  logS: -4.56378  SlogP: 4.1025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797583  Sterimol/B1: 2.56176  Sterimol/B2: 3.65755  Sterimol/B3: 4.68993
  Sterimol/B4: 5.93271  Sterimol/L: 14.3931 
 
 Surface and Volume Properties
  Accessible surface: 476.424  Positive charged surface: 218.352  Negative charged surface: 258.071  Volume: 233
  Hydrophobic surface: 438.08  Hydrophilic surface: 38.344
 
 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.