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ENAMINE-ZINC06999401

 MMsINC code: MMs01717714
Type: Neutral
Formula: C14H12FN3O
SMILES:   Fc1cc(ccc1OC)Cn1nnc2c1cccc2
InChI:   InChI=1/C14H12FN3O/c1-19-14-7-6-10(8-11(14)15)9-18-13-5-3-2-4-12(13)16-17-18/h2-8H,9H2,1H3

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Potential Energy
Epot(MMFF94)=68.7062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.268 g/mol  logS: -3.16393  SlogP: 2.8937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116364  Sterimol/B1: 2.66215  Sterimol/B2: 3.88143  Sterimol/B3: 4.82351
  Sterimol/B4: 4.94791  Sterimol/L: 14.3449 
 
 Surface and Volume Properties
  Accessible surface: 463.008  Positive charged surface: 262.857  Negative charged surface: 200.151  Volume: 237.875
  Hydrophobic surface: 386.03  Hydrophilic surface: 76.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.