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ENAMINE-ZINC05291924

 MMsINC code: MMs01607229
Type: Neutral
Formula: C13H21N3O4
SMILES:   O=C1N(CC(=O)NCCOC)C(=O)NC12CCCCC2
InChI:   InChI=1/C13H21N3O4/c1-20-8-7-14-10(17)9-16-11(18)13(15-12(16)19)5-3-2-4-6-13/h2-9H2,1H3,(H,14,17)(H,15,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.8826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.328 g/mol  logS: -1.82084  SlogP: 0.0037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590653  Sterimol/B1: 2.56217  Sterimol/B2: 3.32584  Sterimol/B3: 4.43252
  Sterimol/B4: 5.424  Sterimol/L: 17.094 
 
 Surface and Volume Properties
  Accessible surface: 528.598  Positive charged surface: 405.821  Negative charged surface: 122.776  Volume: 267.625
  Hydrophobic surface: 392.315  Hydrophilic surface: 136.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.