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ACROSORGANICS-ZINC02382890

 MMsINC code: MMs00013447
Type: Neutral
Formula: C4H9NO2
SMILES:   O(C(C(=O)N)C)C
InChI:   InChI=1/C4H9NO2/c1-3(7-2)4(5)6/h3H,1-2H3,(H2,5,6)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=22.4342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: -0.33895  SlogP: -0.4934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138139  Sterimol/B1: 2.01385  Sterimol/B2: 2.68325  Sterimol/B3: 2.90003
  Sterimol/B4: 4.79977  Sterimol/L: 9.17175 
 
 Surface and Volume Properties
  Accessible surface: 279.228  Positive charged surface: 207.19  Negative charged surface: 72.037  Volume: 105.625
  Hydrophobic surface: 144.204  Hydrophilic surface: 135.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.