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ALFAAESAR-ZINC01603528

 MMsINC code: MMs00021471
Type: Neutral
Formula: C6H11NO3
SMILES:   O(C(=O)C(=O)N(C)C)CC
InChI:   InChI=1/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3

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Potential Energy
Epot(MMFF94)=56.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: -0.3925  SlogP: -0.3623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383203  Sterimol/B1: 2.47956  Sterimol/B2: 2.69366  Sterimol/B3: 3.23503
  Sterimol/B4: 3.73926  Sterimol/L: 11.9655 
 
 Surface and Volume Properties
  Accessible surface: 348.371  Positive charged surface: 277.405  Negative charged surface: 70.966  Volume: 142.75
  Hydrophobic surface: 251.276  Hydrophilic surface: 97.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.