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ASINEX-ZINC03876015

 MMsINC code: MMs00290925
Type: Neutral
Formula: C20H12N2
SMILES:   n1c2c3c(c4c(c2nc2c1cccc2)cccc4)cccc3
InChI:   InChI=1/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H

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Potential Energy
Epot(MMFF94)=118.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.33 g/mol  logS: -6.25532  SlogP: 5.0894  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.48496e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10045  Sterimol/B3: 3.25929
  Sterimol/B4: 8.8989  Sterimol/L: 13.2426 
 
 Surface and Volume Properties
  Accessible surface: 495.976  Positive charged surface: 247.375  Negative charged surface: 226.458  Volume: 277.25
  Hydrophobic surface: 456.497  Hydrophilic surface: 39.479
 
 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.