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CHEMDIV-ZINC05028585

 MMsINC code: MMs00980074
Type: Neutral
Formula: C24H18FN3O
SMILES:   Fc1cc2C3=NN=C(C3=CN(c2cc1)Cc1ccccc1)c1ccc(OC)cc1
InChI:   InChI=1/C24H18FN3O/c1-29-19-10-7-17(8-11-19)23-21-15-28(14-16-5-3-2-4-6-16)22-12-9-18(25)13-20(22)24(21)27-26-23/h2-13,15H,14H2,1H3

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Potential Energy
Epot(MMFF94)=167.727 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: 0.0571217  Sterimol/B1: 3.16697  Sterimol/B2: 4.16076  Sterimol/B3: 4.60562
  Sterimol/B4: 7.29838  Sterimol/L: 16.4533 
 
 Surface and Volume Properties
  Accessible surface: 642.547  Positive charged surface: 357.808  Negative charged surface: 284.739  Volume: 361
  Hydrophobic surface: 562.564  Hydrophilic surface: 79.983
 
 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.