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PUBCHEM-ZINC02380421

 MMsINC code: MMs02885975
Type: Neutral
Formula: C3H8N2O3
SMILES:   OC(=O)C(N)CNO
InChI:   InChI=1/C3H8N2O3/c4-2(1-5-8)3(6)7/h2,5,8H,1,4H2,(H,6,7)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=43.0937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.108 g/mol  logS: 1.22751  SlogP: -1.6229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110036  Sterimol/B1: 2.51404  Sterimol/B2: 2.57112  Sterimol/B3: 3.19204
  Sterimol/B4: 4.32902  Sterimol/L: 9.84002 
 
 Surface and Volume Properties
  Accessible surface: 284.919  Positive charged surface: 187.487  Negative charged surface: 97.4325  Volume: 102.375
  Hydrophobic surface: 56.905  Hydrophilic surface: 228.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.