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PUBCHEM-ZINC05911843

 MMsINC code: MMs03441311
Type: Neutral
Formula: C8H14N2O4
SMILES:   O1CCN(CC1)C(=O)NC(C(O)=O)C
InChI:   InChI=1/C8H14N2O4/c1-6(7(11)12)9-8(13)10-2-4-14-5-3-10/h6H,2-5H2,1H3,(H,9,13)(H,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.11287  SlogP: -0.4987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110047  Sterimol/B1: 2.24758  Sterimol/B2: 2.59913  Sterimol/B3: 4.50797
  Sterimol/B4: 4.91031  Sterimol/L: 12.4943 
 
 Surface and Volume Properties
  Accessible surface: 394.568  Positive charged surface: 296.993  Negative charged surface: 97.5751  Volume: 184.375
  Hydrophobic surface: 239.926  Hydrophilic surface: 154.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03441312
PUBCHEM-ZINC05911843