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NCID-ZINC04726614

 MMsINC code: MMs02398540
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)CN(N=O)CCC
InChI:   InChI=1/C5H10N2O3/c1-2-3-7(6-10)4-5(8)9/h2-4H2,1H3,(H,8,9)

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Potential Energy
Epot(MMFF94)=21.6205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: -0.31565  SlogP: 0.4644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125454  Sterimol/B1: 2.54283  Sterimol/B2: 2.89968  Sterimol/B3: 3.12357
  Sterimol/B4: 4.94911  Sterimol/L: 10.8479 
 
 Surface and Volume Properties
  Accessible surface: 331.454  Positive charged surface: 198.295  Negative charged surface: 133.159  Volume: 136.125
  Hydrophobic surface: 215.559  Hydrophilic surface: 115.895
 
 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


MMs02398541
NCID-ZINC04726614