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ASINEX-ZINC05000023

 MMsINC code: MMs00429040
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CCc2ccccc2)C(=O)N(c2c1cccc2)CC(=O)NC1CCCCC1
InChI:   InChI=1/C24H27N3O3/c28-22(25-19-11-5-2-6-12-19)17-27-21-14-8-7-13-20(21)23(29)26(24(27)30)16-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.199  SlogP: 3.76037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479754  Sterimol/B1: 2.85112  Sterimol/B2: 3.51924  Sterimol/B3: 3.77655
  Sterimol/B4: 10.8828  Sterimol/L: 19.015 
 
 Surface and Volume Properties
  Accessible surface: 700.364  Positive charged surface: 452.544  Negative charged surface: 247.82  Volume: 398.5
  Hydrophobic surface: 614.473  Hydrophilic surface: 85.891
 
 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.