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PUBCHEM-ZINC01456497

 MMsINC code: MMs02807673
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CCCCC1C)CC(C)C
InChI:   InChI=1/C11H21NO/c1-9(2)8-11(13)12-7-5-4-6-10(12)3/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)=43.2877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.97805  SlogP: 2.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112342  Sterimol/B1: 2.18301  Sterimol/B2: 2.66959  Sterimol/B3: 3.74826
  Sterimol/B4: 6.65966  Sterimol/L: 12.0631 
 
 Surface and Volume Properties
  Accessible surface: 408.466  Positive charged surface: 318.7  Negative charged surface: 89.7663  Volume: 206.25
  Hydrophobic surface: 336.215  Hydrophilic surface: 72.251
 
 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.