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CHEMDIV-ZINC04660129

 MMsINC code: MMs00940140
Type: Neutral
Formula: C26H24N2O
SMILES:   O(CC)c1ccc(cc1C)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2
InChI:   InChI=1/C26H24N2O/c1-3-29-25-13-12-18(14-17(25)2)26(21-15-27-23-10-6-4-8-19(21)23)22-16-28-24-11-7-5-9-20(22)24/h4-16,26-28H,3H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.491 g/mol  logS: -5.94813  SlogP: 6.53652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230278  Sterimol/B1: 3.80083  Sterimol/B2: 5.61611  Sterimol/B3: 6.86313
  Sterimol/B4: 6.91821  Sterimol/L: 14.8859 
 
 Surface and Volume Properties
  Accessible surface: 671.353  Positive charged surface: 400.718  Negative charged surface: 261.776  Volume: 386.875
  Hydrophobic surface: 570.903  Hydrophilic surface: 100.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.