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ENAMINE-ZINC03118571

 MMsINC code: MMs01290587
Type: Neutral
Formula: C15H12F5O4P
SMILES:   P(Oc1ccccc1)(OC(C(F)(F)C(F)(F)F)c1ccccc1)(O)=O
InChI:   InChI=1/C15H12F5O4P/c16-14(17,15(18,19)20)13(11-7-3-1-4-8-11)24-25(21,22)23-12-9-5-2-6-10-12/h1-10,13H,(H,21,22)/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.221 g/mol  logS: -4.77707  SlogP: 4.9864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744062  Sterimol/B1: 2.32052  Sterimol/B2: 3.54573  Sterimol/B3: 3.89473
  Sterimol/B4: 7.95032  Sterimol/L: 15.4514 
 
 Surface and Volume Properties
  Accessible surface: 544.064  Positive charged surface: 223.223  Negative charged surface: 320.841  Volume: 289.75
  Hydrophobic surface: 358.883  Hydrophilic surface: 185.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.