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ACROSORGANICS-ZINC00162640

 MMsINC code: MMs00006031
Type: Neutral
Formula: C5H11NO2
SMILES:   O(C(=O)C(N)C)CC
InChI:   InChI=1/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=20.7642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.148 g/mol  logS: -0.34449  SlogP: -0.1033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967454  Sterimol/B1: 2.79634  Sterimol/B2: 3.11632  Sterimol/B3: 3.18499
  Sterimol/B4: 3.52081  Sterimol/L: 10.319 
 
 Surface and Volume Properties
  Accessible surface: 315.962  Positive charged surface: 230.071  Negative charged surface: 85.8915  Volume: 122.5
  Hydrophobic surface: 180.044  Hydrophilic surface: 135.918
 
 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.