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PUBCHEM-ZINC05138259

 MMsINC code: MMs03210252
Type: Neutral
Formula: C7H14N2O3
SMILES:   O=C(NCC(=O)NO)CC(C)C
InChI:   InChI=1/C7H14N2O3/c1-5(2)3-6(10)8-4-7(11)9-12/h5,12H,3-4H2,1-2H3,(H,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=45.7859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -1.08463  SlogP: -0.3459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040611  Sterimol/B1: 2.43634  Sterimol/B2: 2.69566  Sterimol/B3: 3.25196
  Sterimol/B4: 4.22585  Sterimol/L: 14.2521 
 
 Surface and Volume Properties
  Accessible surface: 392.4  Positive charged surface: 272.113  Negative charged surface: 120.287  Volume: 167.875
  Hydrophobic surface: 177.662  Hydrophilic surface: 214.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.