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PUBCHEM-ZINC05421491

MMsINC code: MMs03264337

Type: Neutral
Formula: C13H12N2
SMILES:   N(C=N)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12N2/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H/b14-11+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.4941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.253 g/mol  logS: -3.40188  SlogP: 3.43177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129895  Sterimol/B1: 3.19885  Sterimol/B2: 3.60741  Sterimol/B3: 3.639
  Sterimol/B4: 6.59999  Sterimol/L: 12.1669 
 
 Surface and Volume Properties
  Accessible surface: 407.722  Positive charged surface: 245.379  Negative charged surface: 162.343  Volume: 207.875
  Hydrophobic surface: 343.469  Hydrophilic surface: 64.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.