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CHEMBRIDGE-ZINC01233236

 MMsINC code: MMs00693004
Type: Neutral
Formula: C23H15N3O2
SMILES:   O=[N+]([O-])c1ccc(cc1)-c1[nH]nc(c1)-c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C23H15N3O2/c27-26(28)18-11-9-15(10-12-18)21-14-22(25-24-21)23-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)23/h1-14H,(H,24,25)

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Potential Energy
Epot(MMFF94)=126.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.392 g/mol  logS: -9.15727  SlogP: 5.9583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379147  Sterimol/B1: 2.75195  Sterimol/B2: 2.92336  Sterimol/B3: 3.95766
  Sterimol/B4: 9.52312  Sterimol/L: 17.6581 
 
 Surface and Volume Properties
  Accessible surface: 610.883  Positive charged surface: 259.98  Negative charged surface: 329.043  Volume: 344.875
  Hydrophobic surface: 476.632  Hydrophilic surface: 134.251
 
 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.