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CHEMDIV-ZINC05028590

 MMsINC code: MMs00980078
Type: Neutral
Formula: C24H18FN3O
SMILES:   Fc1ccccc1CN1C=C2C(=NN=C2c2ccccc2)c2cc(OC)ccc12
InChI:   InChI=1/C24H18FN3O/c1-29-18-11-12-22-19(13-18)24-20(23(26-27-24)16-7-3-2-4-8-16)15-28(22)14-17-9-5-6-10-21(17)25/h2-13,15H,14H2,1H3

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Potential Energy
Epot(MMFF94)=162.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.426 g/mol  logS: -6.71101  SlogP: 5.2118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585621  Sterimol/B1: 2.3112  Sterimol/B2: 3.38349  Sterimol/B3: 3.91127
  Sterimol/B4: 9.52276  Sterimol/L: 16.9094 
 
 Surface and Volume Properties
  Accessible surface: 626.212  Positive charged surface: 363.299  Negative charged surface: 262.913  Volume: 362.125
  Hydrophobic surface: 546.257  Hydrophilic surface: 79.955
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.