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PUBCHEM-ZINC05650609

 MMsINC code: MMs03336907
Type: Neutral
Formula: C5H11N3O3
SMILES:   O(CC)C(=O)NCN(N=O)C
InChI:   InChI=1/C5H11N3O3/c1-3-11-5(9)6-4-8(2)7-10/h3-4H2,1-2H3,(H,6,9)

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Potential Energy
Epot(MMFF94)=-3.81091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.161 g/mol  logS: -0.07293  SlogP: 0.3032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826669  Sterimol/B1: 2.46107  Sterimol/B2: 3.30217  Sterimol/B3: 3.82953
  Sterimol/B4: 4.12232  Sterimol/L: 12.5794 
 
 Surface and Volume Properties
  Accessible surface: 366.048  Positive charged surface: 260.822  Negative charged surface: 105.226  Volume: 147.875
  Hydrophobic surface: 267.94  Hydrophilic surface: 98.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.