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CHEMDIV-ZINC02689783

 MMsINC code: MMs00884315
Type: Neutral
Formula: C24H17F2N3O
SMILES:   Fc1ccccc1CN1C=C2C(=NN=C2c2ccc(OC)cc2)c2cc(F)ccc12
InChI:   InChI=1/C24H17F2N3O/c1-30-18-9-6-15(7-10-18)23-20-14-29(13-16-4-2-3-5-21(16)26)22-11-8-17(25)12-19(22)24(20)28-27-23/h2-12,14H,13H2,1H3

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Potential Energy
Epot(MMFF94)=160.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.416 g/mol  logS: -7.00599  SlogP: 5.3509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580077  Sterimol/B1: 3.11334  Sterimol/B2: 4.21858  Sterimol/B3: 4.53378
  Sterimol/B4: 7.37395  Sterimol/L: 16.4251 
 
 Surface and Volume Properties
  Accessible surface: 639.946  Positive charged surface: 357.243  Negative charged surface: 282.703  Volume: 364.125
  Hydrophobic surface: 560.25  Hydrophilic surface: 79.696
 
 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.