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PUBCHEM-ZINC06371528

 MMsINC code: MMs03689826
Type: Neutral
Formula: C7H14N2O3
SMILES:   OC(=O)C(NC(=O)CN)(CC)C
InChI:   InChI=1/C7H14N2O3/c1-3-7(2,6(11)12)9-5(10)4-8/h3-4,8H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=49.8919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.3065  SlogP: -0.6854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278052  Sterimol/B1: 2.51958  Sterimol/B2: 2.93817  Sterimol/B3: 4.09983
  Sterimol/B4: 5.83296  Sterimol/L: 10.9819 
 
 Surface and Volume Properties
  Accessible surface: 364.593  Positive charged surface: 254.005  Negative charged surface: 110.588  Volume: 165.5
  Hydrophobic surface: 157.35  Hydrophilic surface: 207.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.