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PUBCHEM-ZINC02173545

 MMsINC code: MMs02881121
Type: Neutral
Formula: C30H20N2
SMILES:   n1c2c(ccc1-c1ccc(cc1)-c1ccc(cc1)-c1nc3c(cc1)cccc3)cccc2
InChI:   InChI=1/C30H20N2/c1-3-7-27-23(5-1)17-19-29(31-27)25-13-9-21(10-14-25)22-11-15-26(16-12-22)30-20-18-24-6-2-4-8-28(24)32-30/h1-20H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.504 g/mol  logS: -9.7787  SlogP: 7.784  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.39205e-07  Sterimol/B1: 2.10129  Sterimol/B2: 2.10238  Sterimol/B3: 3.91084
  Sterimol/B4: 4.71715  Sterimol/L: 24.777 
 
 Surface and Volume Properties
  Accessible surface: 716.636  Positive charged surface: 329.566  Negative charged surface: 353.856  Volume: 413.625
  Hydrophobic surface: 679.425  Hydrophilic surface: 37.211
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.