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ENAMINE-ZINC03371771

 MMsINC code: MMs01402282
Type: Neutral
Formula: C14H21N3O4
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC2CCCC2)C1=O
InChI:   InChI=1/C14H21N3O4/c1-2-3-8-16-12(19)13(20)17(14(16)21)9-11(18)15-10-6-4-5-7-10/h10H,2-9H2,1H3,(H,15,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.9888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.339 g/mol  logS: -2.4885  SlogP: 0.6361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432536  Sterimol/B1: 2.5155  Sterimol/B2: 3.10602  Sterimol/B3: 4.11075
  Sterimol/B4: 6.24794  Sterimol/L: 17.7677 
 
 Surface and Volume Properties
  Accessible surface: 560.094  Positive charged surface: 382.362  Negative charged surface: 177.732  Volume: 280.125
  Hydrophobic surface: 377.645  Hydrophilic surface: 182.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.