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ENAMINE-ZINC02291815

 MMsINC code: MMs01249487
Type: Neutral
Formula: C18H13F3NO3P
SMILES:   P(Oc1ccccc1F)(Oc1ccccc1F)(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C18H13F3NO3P/c19-13-6-5-7-14(12-13)22-26(23,24-17-10-3-1-8-15(17)20)25-18-11-4-2-9-16(18)21/h1-12H,(H,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.274 g/mol  logS: -5.42163  SlogP: 4.7117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130467  Sterimol/B1: 2.532  Sterimol/B2: 3.54176  Sterimol/B3: 4.53625
  Sterimol/B4: 9.65957  Sterimol/L: 14.4201 
 
 Surface and Volume Properties
  Accessible surface: 562.9  Positive charged surface: 266.863  Negative charged surface: 296.037  Volume: 314.625
  Hydrophobic surface: 518.188  Hydrophilic surface: 44.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.