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APOLLO-ZINC01255989

MMsINC code: MMs00049098

Type: Neutral
Formula: C14H11F3O
SMILES:   FC(F)(F)C(O)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H11F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=111.005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.235 g/mol  logS: -4.00679  SlogP: 4.2162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28163  Sterimol/B1: 2.30904  Sterimol/B2: 3.30221  Sterimol/B3: 4.93673
  Sterimol/B4: 5.31168  Sterimol/L: 11.7099 
 
 Surface and Volume Properties
  Accessible surface: 422.765  Positive charged surface: 181.045  Negative charged surface: 241.719  Volume: 219.5
  Hydrophobic surface: 315.623  Hydrophilic surface: 107.142
 
 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.