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PUBCHEM-ZINC05669550

 MMsINC code: MMs03341284
Type: Neutral
Formula: C8H14N2O4
SMILES:   O1CCN(CC1)C(=O)NCC(OC)=O
InChI:   InChI=1/C8H14N2O4/c1-13-7(11)6-9-8(12)10-2-4-14-5-3-10/h2-6H2,1H3,(H,9,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.19799  SlogP: -0.7988  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0495275  Sterimol/B1: 2.94592  Sterimol/B2: 3.38308  Sterimol/B3: 3.84475
  Sterimol/B4: 4.43502  Sterimol/L: 14.1668 
 
 Surface and Volume Properties
  Accessible surface: 416.395  Positive charged surface: 344.891  Negative charged surface: 71.5037  Volume: 185.375
  Hydrophobic surface: 308.644  Hydrophilic surface: 107.751
 
 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.