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PUBCHEM-ZINC05113584

 MMsINC code: MMs03201799
Type: Neutral
Formula: C6H12N2O5
SMILES:   OC(=O)CN(CC(=O)NO)CCO
InChI:   InChI=1/C6H12N2O5/c9-2-1-8(4-6(11)12)3-5(10)7-13/h9,13H,1-4H2,(H,7,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=105.845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.171 g/mol  logS: 0.63632  SlogP: -2.1293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154779  Sterimol/B1: 2.30046  Sterimol/B2: 3.59955  Sterimol/B3: 3.78077
  Sterimol/B4: 3.91083  Sterimol/L: 12.5742 
 
 Surface and Volume Properties
  Accessible surface: 374.799  Positive charged surface: 266.138  Negative charged surface: 108.661  Volume: 162.25
  Hydrophobic surface: 119.844  Hydrophilic surface: 254.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03201800
PUBCHEM-ZINC05113584