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ENAMINE-ZINC02291688

 MMsINC code: MMs01249478
Type: Neutral
Formula: C15H15F3NO4P
SMILES:   P(Oc1ccccc1)(OCC(F)(F)F)(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C15H15F3NO4P/c1-21-13-9-7-12(8-10-13)19-24(20,22-11-15(16,17)18)23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,20)/t24-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.3704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.256 g/mol  logS: -3.96798  SlogP: 4.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15257  Sterimol/B1: 2.16754  Sterimol/B2: 2.80156  Sterimol/B3: 5.75517
  Sterimol/B4: 9.25426  Sterimol/L: 14.6407 
 
 Surface and Volume Properties
  Accessible surface: 564.852  Positive charged surface: 298.591  Negative charged surface: 266.261  Volume: 296
  Hydrophobic surface: 400.128  Hydrophilic surface: 164.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.