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NCID-ZINC05742929

 MMsINC code: MMs02493791
Type: Neutral
Formula: C24H14N2
SMILES:   n1c2c3c(c4c(c2nc2c1cccc2)cccc4)ccc1c3cccc1
InChI:   InChI=1/C24H14N2/c1-2-8-16-15(7-1)13-14-18-17-9-3-4-10-19(17)23-24(22(16)18)26-21-12-6-5-11-20(21)25-23/h1-14H

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Potential Energy
Epot(MMFF94)=155.428 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: 1.6665e-07  Sterimol/B1: 2.09815  Sterimol/B2: 2.09983  Sterimol/B3: 2.45239
  Sterimol/B4: 11.277  Sterimol/L: 14.2567 
 
 Surface and Volume Properties
  Accessible surface: 551.242  Positive charged surface: 265.048  Negative charged surface: 252.98  Volume: 321.875
  Hydrophobic surface: 514.831  Hydrophilic surface: 36.411
 
 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.