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NCID-ZINC01702810

 MMsINC code: MMs02332040
Type: Neutral
Formula: C6H11NO2
SMILES:   O(CC)C(=O)NC1CC1
InChI:   InChI=1/C6H11NO2/c1-2-9-6(8)7-5-3-4-5/h5H,2-4H2,1H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-1.12424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.71952  SlogP: 0.8949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610804  Sterimol/B1: 2.38788  Sterimol/B2: 2.78035  Sterimol/B3: 2.91792
  Sterimol/B4: 3.76604  Sterimol/L: 11.8492 
 
 Surface and Volume Properties
  Accessible surface: 338.918  Positive charged surface: 243.096  Negative charged surface: 95.8221  Volume: 136.25
  Hydrophobic surface: 208.318  Hydrophilic surface: 130.6
 
 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.