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ENAMINE-ZINC05256968

 MMsINC code: MMs01602423
Type: Neutral
Formula: C23H15N3O
SMILES:   O=C(Nc1c2c(ccc1)cccc2)c1c2nc3c(nc2ccc1)cccc3
InChI:   InChI=1/C23H15N3O/c27-23(26-18-13-5-8-15-7-1-2-9-16(15)18)17-10-6-14-21-22(17)25-20-12-4-3-11-19(20)24-21/h1-14H,(H,26,27)

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Potential Energy
Epot(MMFF94)=142.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.393 g/mol  logS: -6.34743  SlogP: 5.1885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157062  Sterimol/B1: 2.15607  Sterimol/B2: 3.70499  Sterimol/B3: 5.4488
  Sterimol/B4: 5.66819  Sterimol/L: 18.0406 
 
 Surface and Volume Properties
  Accessible surface: 597.465  Positive charged surface: 321.439  Negative charged surface: 265.668  Volume: 336.625
  Hydrophobic surface: 521.962  Hydrophilic surface: 75.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.