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CHEMBLOCK-ZINC03897037

 MMsINC code: MMs00540820
Type: Neutral
Formula: C25H16N2
SMILES:   n1(N=C2c3c(-c4c2cccc4)cccc3)c2c(c3c1cccc3)cccc2
InChI:   InChI=1/C25H16N2/c1-3-13-21-17(9-1)18-10-2-4-14-22(18)25(21)26-27-23-15-7-5-11-19(23)20-12-6-8-16-24(20)27/h1-16H

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Potential Energy
Epot(MMFF94)=123.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.417 g/mol  logS: -8.27019  SlogP: 6.0756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278825  Sterimol/B1: 2.92433  Sterimol/B2: 4.3183  Sterimol/B3: 6.39015
  Sterimol/B4: 9.00949  Sterimol/L: 14.5561 
 
 Surface and Volume Properties
  Accessible surface: 588.258  Positive charged surface: 292.215  Negative charged surface: 279.548  Volume: 344.625
  Hydrophobic surface: 579.724  Hydrophilic surface: 8.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.