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PUBCHEM-ZINC06213840

 MMsINC code: MMs03617064
Type: Neutral
Formula: C4H10N2O3
SMILES:   OC(C(N)C(=O)NO)C
InChI:   InChI=1/C4H10N2O3/c1-2(7)3(5)4(8)6-9/h2-3,7,9H,5H2,1H3,(H,6,8)/t2-,3+/m0/s1

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Potential Energy
Epot(MMFF94)=57.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.135 g/mol  logS: 0.51148  SlogP: -1.8001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202586  Sterimol/B1: 2.46832  Sterimol/B2: 2.56424  Sterimol/B3: 3.8126
  Sterimol/B4: 4.46202  Sterimol/L: 9.81386 
 
 Surface and Volume Properties
  Accessible surface: 308.228  Positive charged surface: 210.414  Negative charged surface: 97.8144  Volume: 120.75
  Hydrophobic surface: 78.3342  Hydrophilic surface: 229.8938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.