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ENAMINE-ZINC03546244

 MMsINC code: MMs01500965
Type: Neutral
Formula: C16H24N4O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O
InChI:   InChI=1/C16H24N4O5/c1-10(2)8-19-13(22)14(23)20(16(19)25)9-12(21)18-15(24)17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.72787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.391 g/mol  logS: -2.9188  SlogP: 0.5917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303088  Sterimol/B1: 2.51169  Sterimol/B2: 2.96105  Sterimol/B3: 4.29856
  Sterimol/B4: 6.55182  Sterimol/L: 19.3907 
 
 Surface and Volume Properties
  Accessible surface: 613.286  Positive charged surface: 422.535  Negative charged surface: 190.751  Volume: 325.875
  Hydrophobic surface: 372.38  Hydrophilic surface: 240.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.