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NCID-ZINC01663913

 MMsINC code: MMs02300228
Type: Ionized
Formula: C6H10NO4-
SMILES:   O(CC)C(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C6H11NO4/c1-3-11-6(10)7-4(2)5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=0.394023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.149 g/mol  logS: -0.75064  SlogP: -1.1291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653101  Sterimol/B1: 2.83016  Sterimol/B2: 3.16649  Sterimol/B3: 3.70183
  Sterimol/B4: 3.82845  Sterimol/L: 12.349 
 
 Surface and Volume Properties
  Accessible surface: 358.777  Positive charged surface: 222.598  Negative charged surface: 136.179  Volume: 144.875
  Hydrophobic surface: 176.929  Hydrophilic surface: 181.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs02300227
NCID-ZINC01663913