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CHEMBRIDGE-ZINC01141382

 MMsINC code: MMs00670056
Type: Neutral
Formula: C21H14FN3O2
SMILES:   Fc1ccccc1C(=O)Nc1cc(ccc1)-c1oc(nn1)-c1ccccc1
InChI:   InChI=1/C21H14FN3O2/c22-18-12-5-4-11-17(18)19(26)23-16-10-6-9-15(13-16)21-25-24-20(27-21)14-7-2-1-3-8-14/h1-13H,(H,23,26)

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Potential Energy
Epot(MMFF94)=98.6476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.36 g/mol  logS: -8.30254  SlogP: 4.795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00849921  Sterimol/B1: 2.74209  Sterimol/B2: 2.88373  Sterimol/B3: 3.91056
  Sterimol/B4: 6.95489  Sterimol/L: 20.286 
 
 Surface and Volume Properties
  Accessible surface: 613.086  Positive charged surface: 310.438  Negative charged surface: 302.648  Volume: 329.625
  Hydrophobic surface: 515.736  Hydrophilic surface: 97.35
 
 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.