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PUBCHEM-ZINC06040823

 MMsINC code: MMs03508766
Type: Neutral
Formula: C24H19N3O
SMILES:   Oc1ccccc1-n1c2c3c(ccc2nc1Nc1ccccc1C)cccc3
InChI:   InChI=1/C24H19N3O/c1-16-8-2-5-11-19(16)25-24-26-20-15-14-17-9-3-4-10-18(17)23(20)27(24)21-12-6-7-13-22(21)28/h2-15,28H,1H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=136.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.436 g/mol  logS: -7.42091  SlogP: 5.93632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614293  Sterimol/B1: 3.7521  Sterimol/B2: 4.18671  Sterimol/B3: 5.12371
  Sterimol/B4: 7.42044  Sterimol/L: 16.147 
 
 Surface and Volume Properties
  Accessible surface: 614.987  Positive charged surface: 337.316  Negative charged surface: 266.507  Volume: 357.625
  Hydrophobic surface: 560.631  Hydrophilic surface: 54.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.