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ACROSORGANICS-ZINC00391160

 MMsINC code: MMs00007261
Type: Neutral
Formula: C5H9NO3
SMILES:   O(C(=O)CC(=O)N)CC
InChI:   InChI=1/C5H9NO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H2,6,7)

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Potential Energy
Epot(MMFF94)=8.60816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.131 g/mol  logS: -0.4864  SlogP: -0.5751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0333618  Sterimol/B1: 2.27452  Sterimol/B2: 2.37478  Sterimol/B3: 2.3757
  Sterimol/B4: 3.71428  Sterimol/L: 11.7773 
 
 Surface and Volume Properties
  Accessible surface: 319.051  Positive charged surface: 226.545  Negative charged surface: 92.5057  Volume: 124.125
  Hydrophobic surface: 150.855  Hydrophilic surface: 168.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.