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PUBCHEM-ZINC05138837

 MMsINC code: MMs03210846
Type: Neutral
Formula: C5H10N2O2
SMILES:   O=C1N(O)CC(C)C1N
InChI:   InChI=1/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=53.3012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.18976  SlogP: -0.8188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218487  Sterimol/B1: 2.68832  Sterimol/B2: 3.19147  Sterimol/B3: 3.26069
  Sterimol/B4: 4.44986  Sterimol/L: 9.15799 
 
 Surface and Volume Properties
  Accessible surface: 296.487  Positive charged surface: 207.136  Negative charged surface: 89.3512  Volume: 121.875
  Hydrophobic surface: 130.327  Hydrophilic surface: 166.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.