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PUBCHEM-ZINC02049962

 MMsINC code: MMs02866302
Type: Neutral
Formula: C25H15F2N
SMILES:   Fc1ccc(cc1)-c1cc(nc2c1c1c(cc2)cccc1)-c1ccc(F)cc1
InChI:   InChI=1/C25H15F2N/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15H

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Potential Energy
Epot(MMFF94)=156.72 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.398 g/mol  logS: -9.26282  SlogP: 7.0002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416828  Sterimol/B1: 3.47808  Sterimol/B2: 3.66323  Sterimol/B3: 4.16401
  Sterimol/B4: 8.12617  Sterimol/L: 16.3244 
 
 Surface and Volume Properties
  Accessible surface: 588.599  Positive charged surface: 277.213  Negative charged surface: 289.935  Volume: 342.5
  Hydrophobic surface: 568.719  Hydrophilic surface: 19.88
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.