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NCID-ZINC01649540

 MMsINC code: MMs02289512
Type: Neutral
Formula: C29H21FN2O
SMILES:   Fc1ccc(cc1)-c1cc(nc-2c1CCc1c-2cccc1OC)-c1nc2c(cc1)cccc2
InChI:   InChI=1/C29H21FN2O/c1-33-28-8-4-6-22-21(28)14-15-23-24(18-9-12-20(30)13-10-18)17-27(32-29(22)23)26-16-11-19-5-2-3-7-25(19)31-26/h2-13,16-17H,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=138.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.498 g/mol  logS: -8.46508  SlogP: 6.87704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229763  Sterimol/B1: 2.81471  Sterimol/B2: 3.38098  Sterimol/B3: 3.94244
  Sterimol/B4: 10.9651  Sterimol/L: 19.2711 
 
 Surface and Volume Properties
  Accessible surface: 695.046  Positive charged surface: 405.015  Negative charged surface: 277.834  Volume: 417.125
  Hydrophobic surface: 657.378  Hydrophilic surface: 37.668
 
 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.