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PUBCHEM-ZINC05912615

 MMsINC code: MMs03441751
Type: Ionized
Formula: C9H15N2O4-
SMILES:   O1CCCC1CNC(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C9H16N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/p-1/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=4.79888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.229 g/mol  logS: -0.88285  SlogP: -1.397  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0546916  Sterimol/B1: 2.43285  Sterimol/B2: 2.69915  Sterimol/B3: 3.52287
  Sterimol/B4: 5.1672  Sterimol/L: 14.4423 
 
 Surface and Volume Properties
  Accessible surface: 435.297  Positive charged surface: 297.585  Negative charged surface: 137.712  Volume: 201.125
  Hydrophobic surface: 258.122  Hydrophilic surface: 177.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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MMs03441750
PUBCHEM-ZINC05912615