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ASINEX-ZINC04309470

 MMsINC code: MMs00323867
Type: Neutral
Formula: C22H12N2
SMILES:   n1c2c3c4c(-c5c(-c4ccc3)cccc5)cc2nc2c1cccc2
InChI:   InChI=1/C22H12N2/c1-2-7-14-13(6-1)15-8-5-9-16-21(15)17(14)12-20-22(16)24-19-11-4-3-10-18(19)23-20/h1-12H

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Potential Energy
Epot(MMFF94)=133.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.352 g/mol  logS: -7.5847  SlogP: 5.5836  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.75063e-05  Sterimol/B1: 2.09746  Sterimol/B2: 2.13839  Sterimol/B3: 3.67537
  Sterimol/B4: 6.94229  Sterimol/L: 16.4788 
 
 Surface and Volume Properties
  Accessible surface: 527.542  Positive charged surface: 261.095  Negative charged surface: 233.004  Volume: 297.375
  Hydrophobic surface: 479.791  Hydrophilic surface: 47.751
 
 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.