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PUBCHEM-ZINC05138460

 MMsINC code: MMs03210457
Type: Neutral
Formula: C7H14N2O3
SMILES:   O=C(NCC(=O)NO)C(CC)C
InChI:   InChI=1/C7H14N2O3/c1-3-5(2)7(11)8-4-6(10)9-12/h5,12H,3-4H2,1-2H3,(H,8,11)(H,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=44.2003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.77118  SlogP: -0.3459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433931  Sterimol/B1: 2.5584  Sterimol/B2: 3.3057  Sterimol/B3: 3.47948
  Sterimol/B4: 3.68927  Sterimol/L: 14.2125 
 
 Surface and Volume Properties
  Accessible surface: 390.956  Positive charged surface: 262.657  Negative charged surface: 128.3  Volume: 167.75
  Hydrophobic surface: 177.03  Hydrophilic surface: 213.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.