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CHEMBLOCK-ZINC00063346

 MMsINC code: MMs00492872
Type: Neutral
Formula: C19H14N2
SMILES:   n1c-2c(ccc1)/C(=N\c1ccc(cc1)C)/c1c-2cccc1
InChI:   InChI=1/C19H14N2/c1-13-8-10-14(11-9-13)21-19-16-6-3-2-5-15(16)18-17(19)7-4-12-20-18/h2-12H,1H3/b21-19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.335 g/mol  logS: -5.34178  SlogP: 4.53952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555576  Sterimol/B1: 3.37834  Sterimol/B2: 3.64918  Sterimol/B3: 4.2316
  Sterimol/B4: 6.29475  Sterimol/L: 15.2183 
 
 Surface and Volume Properties
  Accessible surface: 504.666  Positive charged surface: 309.226  Negative charged surface: 189.729  Volume: 271.875
  Hydrophobic surface: 470.968  Hydrophilic surface: 33.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.