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ALFAAESAR-ZINC02560077

 MMsINC code: MMs00023671
Type: Neutral
Formula: C4H9NO2
SMILES:   O(C(=O)NCC)C
InChI:   InChI=1/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)

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Potential Energy
Epot(MMFF94)=-14.2648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: -0.16714  SlogP: 0.3623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475689  Sterimol/B1: 2.37488  Sterimol/B2: 2.37582  Sterimol/B3: 2.37931
  Sterimol/B4: 3.32031  Sterimol/L: 10.6447 
 
 Surface and Volume Properties
  Accessible surface: 289.044  Positive charged surface: 231.445  Negative charged surface: 57.5995  Volume: 105.125
  Hydrophobic surface: 196.101  Hydrophilic surface: 92.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.