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PUBCHEM-ZINC05389966

 MMsINC code: MMs03255642
Type: Neutral
Formula: C16H14N2O2
SMILES:   O(C)c1cc2cc(ncc2cc1OC)-c1ccncc1
InChI:   InChI=1/C16H14N2O2/c1-19-15-8-12-7-14(11-3-5-17-6-4-11)18-10-13(12)9-16(15)20-2/h3-10H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -3.24242  SlogP: 3.314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00718502  Sterimol/B1: 2.16861  Sterimol/B2: 2.37403  Sterimol/B3: 2.38197
  Sterimol/B4: 7.90595  Sterimol/L: 15.2256 
 
 Surface and Volume Properties
  Accessible surface: 506.629  Positive charged surface: 379.389  Negative charged surface: 108.198  Volume: 256.5
  Hydrophobic surface: 459.53  Hydrophilic surface: 47.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.