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ASINEX-ZINC04231172

 MMsINC code: MMs00320671
Type: Neutral
Formula: C23H24N2O5
SMILES:   O1CCOc2c1cc1C=C(CN(C(=O)c3ccccc3C)CCCO)C(=O)Nc1c2
InChI:   InChI=1/C23H24N2O5/c1-15-5-2-3-6-18(15)23(28)25(7-4-8-26)14-17-11-16-12-20-21(30-10-9-29-20)13-19(16)24-22(17)27/h2-3,5-6,11-13,26H,4,7-10,14H2,1H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -4.78201  SlogP: 2.62652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115215  Sterimol/B1: 2.62046  Sterimol/B2: 3.33037  Sterimol/B3: 6.33378
  Sterimol/B4: 7.91313  Sterimol/L: 17.7553 
 
 Surface and Volume Properties
  Accessible surface: 660.442  Positive charged surface: 463.607  Negative charged surface: 196.835  Volume: 383
  Hydrophobic surface: 515.087  Hydrophilic surface: 145.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.