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NCID-ZINC04726615

 MMsINC code: MMs02398542
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)CN(N=O)C(C)C
InChI:   InChI=1/C5H10N2O3/c1-4(2)7(6-10)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)

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Potential Energy
Epot(MMFF94)=25.1309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: -0.44109  SlogP: 0.4628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208634  Sterimol/B1: 2.44861  Sterimol/B2: 2.52211  Sterimol/B3: 4.30921
  Sterimol/B4: 4.39314  Sterimol/L: 9.93445 
 
 Surface and Volume Properties
  Accessible surface: 318.252  Positive charged surface: 186.377  Negative charged surface: 131.875  Volume: 134.625
  Hydrophobic surface: 189.934  Hydrophilic surface: 128.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02398543
NCID-ZINC04726615