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ACROSORGANICS-ZINC00404270

 MMsINC code: MMs00007666
Type: Neutral
Formula: C6H11NO2
SMILES:   O1CCN(CC1)C(=O)C
InChI:   InChI=1/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: 0.04404  SlogP: -0.1349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168009  Sterimol/B1: 2.70023  Sterimol/B2: 3.31762  Sterimol/B3: 3.82335
  Sterimol/B4: 4.12264  Sterimol/L: 9.49043 
 
 Surface and Volume Properties
  Accessible surface: 300.952  Positive charged surface: 236.999  Negative charged surface: 63.9529  Volume: 129.5
  Hydrophobic surface: 248.924  Hydrophilic surface: 52.028
 
 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.