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ENAMINE-ZINC05259163

 MMsINC code: MMs01603105
Type: Neutral
Formula: C25H15N5O
SMILES:   O=C(Nc1cc2nc3c(nc2cc1)cccc3)c1c2nc3c(nc2ccc1)cccc3
InChI:   InChI=1/C25H15N5O/c31-25(16-6-5-11-22-24(16)30-20-10-4-3-9-19(20)28-22)26-15-12-13-21-23(14-15)29-18-8-2-1-7-17(18)27-21/h1-14H,(H,26,31)

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Potential Energy
Epot(MMFF94)=170.486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.429 g/mol  logS: -5.58423  SlogP: 5.1317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149475  Sterimol/B1: 2.89994  Sterimol/B2: 3.48657  Sterimol/B3: 4.55672
  Sterimol/B4: 7.27075  Sterimol/L: 20.4165 
 
 Surface and Volume Properties
  Accessible surface: 660.857  Positive charged surface: 367.256  Negative charged surface: 293.601  Volume: 372.5
  Hydrophobic surface: 529.339  Hydrophilic surface: 131.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.