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PUBCHEM-ZINC04695856

 MMsINC code: MMs03158515
Type: Neutral
Formula: C27H20N2O
SMILES:   Oc1ccccc1-c1n(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C27H20N2O/c30-24-19-11-10-18-23(24)27-25(20-12-4-1-5-13-20)26(21-14-6-2-7-15-21)28-29(27)22-16-8-3-9-17-22/h1-19,30H

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Potential Energy
Epot(MMFF94)=131.304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.47 g/mol  logS: -8.39358  SlogP: 6.5789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124583  Sterimol/B1: 2.37322  Sterimol/B2: 3.84984  Sterimol/B3: 3.91616
  Sterimol/B4: 9.541  Sterimol/L: 15.1953 
 
 Surface and Volume Properties
  Accessible surface: 647.068  Positive charged surface: 366.584  Negative charged surface: 280.484  Volume: 393.25
  Hydrophobic surface: 598.112  Hydrophilic surface: 48.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.