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PUBCHEM-ZINC05675951

 MMsINC code: MMs03344068
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CC(CCC1)C)CC(C)C
InChI:   InChI=1/C11H21NO/c1-9(2)7-11(13)12-6-4-5-10(3)8-12/h9-10H,4-8H2,1-3H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.1191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.85261  SlogP: 2.291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773701  Sterimol/B1: 2.48136  Sterimol/B2: 2.62698  Sterimol/B3: 3.67891
  Sterimol/B4: 5.67191  Sterimol/L: 12.9934 
 
 Surface and Volume Properties
  Accessible surface: 415.727  Positive charged surface: 324.769  Negative charged surface: 90.9573  Volume: 208.5
  Hydrophobic surface: 334.194  Hydrophilic surface: 81.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.