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PUBCHEM-ZINC05501955

 MMsINC code: MMs03289204
Type: Neutral
Formula: C15H20N2O3
SMILES:   O(C(=O)c1ccc(cc1)\C=N\NC(=O)CCCCC)C
InChI:   InChI=1/C15H20N2O3/c1-3-4-5-6-14(18)17-16-11-12-7-9-13(10-8-12)15(19)20-2/h7-11H,3-6H2,1-2H3,(H,17,18)/b16-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.7264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -3.90677  SlogP: 2.5036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00756166  Sterimol/B1: 2.37583  Sterimol/B2: 2.37622  Sterimol/B3: 3.81068
  Sterimol/B4: 5.28206  Sterimol/L: 20.7377 
 
 Surface and Volume Properties
  Accessible surface: 584.308  Positive charged surface: 419.866  Negative charged surface: 164.442  Volume: 282.125
  Hydrophobic surface: 441.753  Hydrophilic surface: 142.555
 
 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.