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PUBCHEM-ZINC03635621

 MMsINC code: MMs03029628
Type: Neutral
Formula: C11H21NO2
SMILES:   O1CCN(CC1)C(=O)C(CCC)(C)C
InChI:   InChI=1/C11H21NO2/c1-4-5-11(2,3)10(13)12-6-8-14-9-7-12/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.59171  SlogP: 1.6715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120205  Sterimol/B1: 3.34463  Sterimol/B2: 3.37415  Sterimol/B3: 3.88431
  Sterimol/B4: 4.36905  Sterimol/L: 13.1684 
 
 Surface and Volume Properties
  Accessible surface: 412.649  Positive charged surface: 317.86  Negative charged surface: 94.7893  Volume: 213.625
  Hydrophobic surface: 320.203  Hydrophilic surface: 92.446
 
 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.