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PUBCHEM-ZINC05138215

 MMsINC code: MMs03210215
Type: Neutral
Formula: C7H14N2O3
SMILES:   O=C(NCC(=O)NO)C(C)(C)C
InChI:   InChI=1/C7H14N2O3/c1-7(2,3)6(11)8-4-5(10)9-12/h12H,4H2,1-3H3,(H,8,11)(H,9,10)

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Potential Energy
Epot(MMFF94)=49.9841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.45773  SlogP: -0.3459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10063  Sterimol/B1: 2.65876  Sterimol/B2: 3.62345  Sterimol/B3: 3.62486
  Sterimol/B4: 4.2373  Sterimol/L: 12.986 
 
 Surface and Volume Properties
  Accessible surface: 384.611  Positive charged surface: 250.076  Negative charged surface: 134.535  Volume: 168.875
  Hydrophobic surface: 167.616  Hydrophilic surface: 216.995
 
 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.