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NCID-ZINC01576279

 MMsINC code: MMs02234863
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)=38.0697 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: 0.0938324  Sterimol/B1: 2.83868  Sterimol/B2: 3.04746  Sterimol/B3: 3.57151
  Sterimol/B4: 4.59246  Sterimol/L: 11.6751 
 
 Surface and Volume Properties
  Accessible surface: 395.601  Positive charged surface: 273.266  Negative charged surface: 122.335  Volume: 175.125
  Hydrophobic surface: 151.426  Hydrophilic surface: 244.175
 
 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.