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PUBCHEM-ZINC03164381

 MMsINC code: MMs03003955
Type: Neutral
Formula: C7H14N2O4
SMILES:   O(C(=O)NC(CNC(OC)=O)C)C
InChI:   InChI=1/C7H14N2O4/c1-5(9-7(11)13-3)4-8-6(10)12-2/h5H,4H2,1-3H3,(H,8,10)(H,9,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-16.1266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: -0.41653  SlogP: 0.0869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473836  Sterimol/B1: 2.31389  Sterimol/B2: 2.55513  Sterimol/B3: 2.95548
  Sterimol/B4: 6.93202  Sterimol/L: 13.208 
 
 Surface and Volume Properties
  Accessible surface: 416.629  Positive charged surface: 330.494  Negative charged surface: 86.1358  Volume: 180.375
  Hydrophobic surface: 275.995  Hydrophilic surface: 140.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.