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PUBCHEM-ZINC04591203

 MMsINC code: MMs03138754
Type: Neutral
Formula: C5H9N3O2
SMILES:   O=C1NC(CC1)C(=O)NN
InChI:   InChI=1/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=49.6183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.146 g/mol  logS: -0.25413  SlogP: -1.7451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1051  Sterimol/B1: 2.40692  Sterimol/B2: 2.50213  Sterimol/B3: 3.29736
  Sterimol/B4: 4.55105  Sterimol/L: 10.5708 
 
 Surface and Volume Properties
  Accessible surface: 317.826  Positive charged surface: 211.553  Negative charged surface: 106.273  Volume: 127.5
  Hydrophobic surface: 109.978  Hydrophilic surface: 207.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.