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ASINEX-ZINC03018521

 MMsINC code: MMs00283663
Type: Neutral
Formula: C26H20N2
SMILES:   Nc1ccc(cc1)-c1c2c(cccc2)c(c2c1cccc2)-c1ccc(N)cc1
InChI:   InChI=1/C26H20N2/c27-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16H,27-28H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.46 g/mol  logS: -9.43516  SlogP: 6.4914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551138  Sterimol/B1: 2.4248  Sterimol/B2: 3.43364  Sterimol/B3: 3.43509
  Sterimol/B4: 9.64874  Sterimol/L: 18.0085 
 
 Surface and Volume Properties
  Accessible surface: 621.307  Positive charged surface: 363.845  Negative charged surface: 236.469  Volume: 366.375
  Hydrophobic surface: 496.764  Hydrophilic surface: 124.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.