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PUBCHEM-ZINC05974801

 MMsINC code: MMs03470522
Type: Neutral
Formula: C26H20N2
SMILES:   n1ccn(c1)C(c1c2c(ccc1)cccc2)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C26H20N2/c1-2-7-20(8-3-1)21-13-15-23(16-14-21)26(28-18-17-27-19-28)25-12-6-10-22-9-4-5-11-24(22)25/h1-19,26H/t26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.46 g/mol  logS: -7.72317  SlogP: 6.4365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176006  Sterimol/B1: 4.06969  Sterimol/B2: 4.38609  Sterimol/B3: 4.90907
  Sterimol/B4: 7.68181  Sterimol/L: 16.615 
 
 Surface and Volume Properties
  Accessible surface: 626.398  Positive charged surface: 323.778  Negative charged surface: 282.596  Volume: 365.5
  Hydrophobic surface: 588.728  Hydrophilic surface: 37.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.