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ENAMINE-ZINC05291677

 MMsINC code: MMs01607220
Type: Neutral
Formula: C15H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C15H24N4O4/c1-14(2,3)17-12(22)16-10(20)9-19-11(21)15(18-13(19)23)7-5-4-6-8-15/h4-9H2,1-3H3,(H,18,23)(H2,16,17,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.5928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -2.88836  SlogP: 0.8654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507934  Sterimol/B1: 2.69562  Sterimol/B2: 3.46757  Sterimol/B3: 5.10668
  Sterimol/B4: 5.17349  Sterimol/L: 17.597 
 
 Surface and Volume Properties
  Accessible surface: 568.415  Positive charged surface: 390.548  Negative charged surface: 177.867  Volume: 304
  Hydrophobic surface: 350.059  Hydrophilic surface: 218.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.