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ASINEX-ZINC01378120

 MMsINC code: MMs00251539
Type: Neutral
Formula: C23H24N2O5
SMILES:   O1CCOc2c1cc1C=C(CN(Cc3ccc(OC)cc3)C(=O)CC)C(=O)Nc1c2
InChI:   InChI=1/C23H24N2O5/c1-3-22(26)25(13-15-4-6-18(28-2)7-5-15)14-17-10-16-11-20-21(30-9-8-29-20)12-19(16)24-23(17)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.6394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -4.56837  SlogP: 3.5071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391843  Sterimol/B1: 2.23838  Sterimol/B2: 3.0109  Sterimol/B3: 3.85343
  Sterimol/B4: 9.58126  Sterimol/L: 20.1664 
 
 Surface and Volume Properties
  Accessible surface: 675.017  Positive charged surface: 489.71  Negative charged surface: 185.307  Volume: 384.75
  Hydrophobic surface: 549.301  Hydrophilic surface: 125.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.