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ASINEX-ZINC01366654

 MMsINC code: MMs00249134
Type: Neutral
Formula: C23H26N2O4
SMILES:   o1cccc1CN(C(=O)C1CCCCC1)CC1=Cc2c(NC1=O)cc(OC)cc2
InChI:   InChI=1/C23H26N2O4/c1-28-19-10-9-17-12-18(22(26)24-21(17)13-19)14-25(15-20-8-5-11-29-20)23(27)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7,14-15H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.7931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -5.71573  SlogP: 4.4992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623311  Sterimol/B1: 2.9602  Sterimol/B2: 4.14309  Sterimol/B3: 4.89456
  Sterimol/B4: 6.86355  Sterimol/L: 17.8462 
 
 Surface and Volume Properties
  Accessible surface: 647.99  Positive charged surface: 447.601  Negative charged surface: 200.389  Volume: 383
  Hydrophobic surface: 550.683  Hydrophilic surface: 97.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.