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NCID-ZINC04974481

MMsINC code: MMs02422499

Type: Neutral
Formula: C14H12N2O2
SMILES:   O(C)c1ccc(cc1)C(=O)N=Nc1ccccc1
InChI:   InChI=1/C14H12N2O2/c1-18-13-9-7-11(8-10-13)14(17)16-15-12-5-3-2-4-6-12/h2-10H,1H3/b16-15+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=76.9539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.262 g/mol  logS: -3.65941  SlogP: 3.6193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00325436  Sterimol/B1: 2.37438  Sterimol/B2: 2.37474  Sterimol/B3: 2.66106
  Sterimol/B4: 6.34573  Sterimol/L: 16.1175 
 
 Surface and Volume Properties
  Accessible surface: 483.098  Positive charged surface: 275.452  Negative charged surface: 207.645  Volume: 234.875
  Hydrophobic surface: 425.723  Hydrophilic surface: 57.375
 
 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.