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ASINEX-ZINC01359264

 MMsINC code: MMs00245495
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C1Nc2c(C=C1CN(C(=O)c1ccccc1)CCc1ccccc1)cc(cc2)C
InChI:   InChI=1/C26H24N2O2/c1-19-12-13-24-22(16-19)17-23(25(29)27-24)18-28(15-14-20-8-4-2-5-9-20)26(30)21-10-6-3-7-11-21/h2-13,16-17H,14-15,18H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.36255  SlogP: 4.71559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077869  Sterimol/B1: 3.58016  Sterimol/B2: 4.41405  Sterimol/B3: 6.27856
  Sterimol/B4: 6.31265  Sterimol/L: 18.1173 
 
 Surface and Volume Properties
  Accessible surface: 668.937  Positive charged surface: 381.78  Negative charged surface: 287.157  Volume: 396.625
  Hydrophobic surface: 587.311  Hydrophilic surface: 81.626
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.