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PUBCHEM-ZINC05911843

 MMsINC code: MMs03441312
Type: Ionized
Formula: C8H13N2O4-
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)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=21.1652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.202 g/mol  logS: -0.37332  SlogP: -1.8334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117536  Sterimol/B1: 2.27375  Sterimol/B2: 2.90641  Sterimol/B3: 4.26924
  Sterimol/B4: 4.71689  Sterimol/L: 12.3085 
 
 Surface and Volume Properties
  Accessible surface: 391.391  Positive charged surface: 274.16  Negative charged surface: 117.231  Volume: 182.625
  Hydrophobic surface: 243.499  Hydrophilic surface: 147.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03441311
PUBCHEM-ZINC05911843