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NCID-ZINC01576277

 MMsINC code: MMs02234861
Type: Neutral
Formula: C7H14N2O4
SMILES:   OC(=O)C(NC(=O)C(N)CC)CO
InChI:   InChI=1/C7H14N2O4/c1-2-4(8)6(11)9-5(3-10)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=38.1899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.22325  SlogP: -1.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140809  Sterimol/B1: 2.97089  Sterimol/B2: 3.33657  Sterimol/B3: 4.19298
  Sterimol/B4: 4.29028  Sterimol/L: 12.061 
 
 Surface and Volume Properties
  Accessible surface: 392.226  Positive charged surface: 273.453  Negative charged surface: 118.773  Volume: 174.625
  Hydrophobic surface: 148.303  Hydrophilic surface: 243.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.