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NCID-ZINC05372199

 MMsINC code: MMs02456341
Type: Neutral
Formula: C24H14N2
SMILES:   n1c2c3c(c4c(c2nc2c1c1c(cc2)cccc1)cccc4)cccc3
InChI:   InChI=1/C24H14N2/c1-2-8-16-15(7-1)13-14-21-22(16)26-24-20-12-6-4-10-18(20)17-9-3-5-11-19(17)23(24)25-21/h1-14H

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Potential Energy
Epot(MMFF94)=138.709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.39 g/mol  logS: -8.1332  SlogP: 6.2426  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.56016e-08  Sterimol/B1: 2.09706  Sterimol/B2: 2.10009  Sterimol/B3: 5.46603
  Sterimol/B4: 6.39234  Sterimol/L: 15.8627 
 
 Surface and Volume Properties
  Accessible surface: 558.033  Positive charged surface: 267.242  Negative charged surface: 257.577  Volume: 323.375
  Hydrophobic surface: 519.021  Hydrophilic surface: 39.012
 
 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.