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ALFAAESAR-ZINC01652289

 MMsINC code: MMs00021617
Type: Neutral
Formula: C5H11NO2
SMILES:   O(C(=O)CN(C)C)C
InChI:   InChI=1/C5H11NO2/c1-6(2)4-5(7)8-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.6188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.148 g/mol  logS: 0.1034  SlogP: -0.279  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.072607  Sterimol/B1: 2.04491  Sterimol/B2: 2.69491  Sterimol/B3: 2.72797
  Sterimol/B4: 4.65146  Sterimol/L: 10.6629 
 
 Surface and Volume Properties
  Accessible surface: 307.043  Positive charged surface: 276.774  Negative charged surface: 30.2685  Volume: 123.25
  Hydrophobic surface: 266.387  Hydrophilic surface: 40.656
 
 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.