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NCID-ZINC01649603

 MMsINC code: MMs02289561
Type: Neutral
Formula: C25H14N2O
SMILES:   O=C1c2c(-c3nc(cc4c3c1nc1c4cccc1)-c1ccccc1)cccc2
InChI:   InChI=1/C25H14N2O/c28-25-18-12-5-4-11-17(18)23-22-19(14-21(27-23)15-8-2-1-3-9-15)16-10-6-7-13-20(16)26-24(22)25/h1-14H

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Potential Energy
Epot(MMFF94)=123.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.4 g/mol  logS: -7.96375  SlogP: 5.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.18707e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09857  Sterimol/B3: 6.52513
  Sterimol/B4: 8.31635  Sterimol/L: 14.7712 
 
 Surface and Volume Properties
  Accessible surface: 585.545  Positive charged surface: 272.286  Negative charged surface: 285.581  Volume: 341.625
  Hydrophobic surface: 504.435  Hydrophilic surface: 81.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.