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PUBCHEM-ZINC04982009

 MMsINC code: MMs03187690
Type: Neutral
Formula: C26H20N2
SMILES:   [nH]1c2c(cccc2)c(-c2cc(nc(c2)-c2ccccc2)-c2ccccc2)c1C
InChI:   InChI=1/C26H20N2/c1-18-26(22-14-8-9-15-23(22)27-18)21-16-24(19-10-4-2-5-11-19)28-25(17-21)20-12-6-3-7-13-20/h2-17,27H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.46 g/mol  logS: -7.94677  SlogP: 6.87232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138314  Sterimol/B1: 2.29962  Sterimol/B2: 4.98577  Sterimol/B3: 7.26475
  Sterimol/B4: 9.68582  Sterimol/L: 15.4684 
 
 Surface and Volume Properties
  Accessible surface: 646.324  Positive charged surface: 336.19  Negative charged surface: 294.849  Volume: 371.5
  Hydrophobic surface: 600.475  Hydrophilic surface: 45.849
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.