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NCID-ZINC05742934

 MMsINC code: MMs02493796
Type: Neutral
Formula: C26H16N2
SMILES:   n1c2c3cc(ccc3c3c(c2nc2c1cccc2)cccc3)-c1ccccc1
InChI:   InChI=1/C26H16N2/c1-2-8-17(9-3-1)18-14-15-20-19-10-4-5-11-21(19)25-26(22(20)16-18)28-24-13-7-6-12-23(24)27-25/h1-16H

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Potential Energy
Epot(MMFF94)=153.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.428 g/mol  logS: -8.6817  SlogP: 6.7564  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.80066e-07  Sterimol/B1: 2.09814  Sterimol/B2: 2.10432  Sterimol/B3: 5.44712
  Sterimol/B4: 8.71704  Sterimol/L: 15.8511 
 
 Surface and Volume Properties
  Accessible surface: 608.447  Positive charged surface: 285.754  Negative charged surface: 289.479  Volume: 352.5
  Hydrophobic surface: 569.663  Hydrophilic surface: 38.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.