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ASINEX-ZINC04537352

 MMsINC code: MMs00349922
Type: Neutral
Formula: C15H20N2O3
SMILES:   O=C1N(CC(=O)N2CCCC2)C(=O)C2C1C1CC2CC1
InChI:   InChI=1/C15H20N2O3/c18-11(16-5-1-2-6-16)8-17-14(19)12-9-3-4-10(7-9)13(12)15(17)20/h9-10,12-13H,1-8H2/t9-,10+,12-,13+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.7194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -2.32119  SlogP: 0.6399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100569  Sterimol/B1: 3.04308  Sterimol/B2: 3.50818  Sterimol/B3: 4.2279
  Sterimol/B4: 4.4763  Sterimol/L: 14.0576 
 
 Surface and Volume Properties
  Accessible surface: 476.695  Positive charged surface: 360.853  Negative charged surface: 115.843  Volume: 262
  Hydrophobic surface: 390.149  Hydrophilic surface: 86.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.