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PUBCHEM-ZINC05735342

 MMsINC code: MMs03365328
Type: Neutral
Formula: C5H10N2O3
SMILES:   O(C(N(N=O)C)C)C(=O)C
InChI:   InChI=1/C5H10N2O3/c1-4(7(3)6-9)10-5(2)8/h4H,1-3H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: -0.4143  SlogP: 0.5087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197234  Sterimol/B1: 2.32214  Sterimol/B2: 2.84764  Sterimol/B3: 3.89451
  Sterimol/B4: 5.98743  Sterimol/L: 9.17211 
 
 Surface and Volume Properties
  Accessible surface: 330.697  Positive charged surface: 207.347  Negative charged surface: 123.35  Volume: 136.625
  Hydrophobic surface: 276.94  Hydrophilic surface: 53.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.