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PUBCHEM-ZINC00268211

 MMsINC code: MMs02648321
Type: Neutral
Formula: C19H12N2O
SMILES:   o1cccc1-c1[nH]c2c3c(c4c(c2n1)cccc4)cccc3
InChI:   InChI=1/C19H12N2O/c1-3-8-14-12(6-1)13-7-2-4-9-15(13)18-17(14)20-19(21-18)16-10-5-11-22-16/h1-11H,(H,20,21)

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Potential Energy
Epot(MMFF94)=70.6145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.318 g/mol  logS: -7.81345  SlogP: 5.1293  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.09217e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09979  Sterimol/B3: 3.29926
  Sterimol/B4: 8.8376  Sterimol/L: 14.2877 
 
 Surface and Volume Properties
  Accessible surface: 510.689  Positive charged surface: 244.671  Negative charged surface: 243.876  Volume: 274.625
  Hydrophobic surface: 472.372  Hydrophilic surface: 38.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.