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ENAMINE-ZINC03283408

 MMsINC code: MMs01349258
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1ccccc1CC)c1cc(C)c(cc1)C
InChI:   InChI=1/C26H24N2O2/c1-4-19-9-5-8-12-24(19)27-16-23-21-10-6-7-11-22(21)25(29)28(26(23)30)20-14-13-17(2)18(3)15-20/h5-16,27H,4H2,1-3H3/b23-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -7.25508  SlogP: 5.50581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655663  Sterimol/B1: 2.22111  Sterimol/B2: 2.97649  Sterimol/B3: 5.2546
  Sterimol/B4: 11.5788  Sterimol/L: 16.9803 
 
 Surface and Volume Properties
  Accessible surface: 685.902  Positive charged surface: 381.991  Negative charged surface: 303.911  Volume: 394.375
  Hydrophobic surface: 627.129  Hydrophilic surface: 58.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules


MMs01349259
ENAMINE-ZINC03283408