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NCID-ZINC01717271

 MMsINC code: MMs02342767
Type: Neutral
Formula: C11H23NO
SMILES:   OCCNC1CC(CC(C1)C)(C)C
InChI:   InChI=1/C11H23NO/c1-9-6-10(12-4-5-13)8-11(2,3)7-9/h9-10,12-13H,4-8H2,1-3H3/t9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.8907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.17174  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170256  Sterimol/B1: 2.26992  Sterimol/B2: 3.00036  Sterimol/B3: 3.96353
  Sterimol/B4: 6.68731  Sterimol/L: 12.1847 
 
 Surface and Volume Properties
  Accessible surface: 419.229  Positive charged surface: 335.882  Negative charged surface: 83.347  Volume: 214
  Hydrophobic surface: 302.698  Hydrophilic surface: 116.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02342768
NCID-ZINC01717271