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ASINEX-ZINC00060704

 MMsINC code: MMs00066938
Type: Neutral
Formula: C23H24N2O
SMILES:   O=C(N(Cc1ccccc1)c1ncccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C23H24N2O/c1-23(2,3)20-14-12-19(13-15-20)22(26)25(21-11-7-8-16-24-21)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -6.08948  SlogP: 5.4925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584301  Sterimol/B1: 2.64513  Sterimol/B2: 4.58945  Sterimol/B3: 5.08623
  Sterimol/B4: 5.95472  Sterimol/L: 16.241 
 
 Surface and Volume Properties
  Accessible surface: 600.503  Positive charged surface: 373.544  Negative charged surface: 226.958  Volume: 354.625
  Hydrophobic surface: 515.66  Hydrophilic surface: 84.843
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.