logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05202783

 MMsINC code: MMs02448315
Type: Neutral
Formula: C11H19NO
SMILES:   O=C(N)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C11H19NO/c1-10(2)7-4-5-11(3,6-7)8(10)9(12)13/h7-8H,4-6H2,1-3H3,(H2,12,13)/t7-,8-,11+/m1/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=102.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.279 g/mol  logS: -3.68246  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.516828  Sterimol/B1: 3.13536  Sterimol/B2: 4.01935  Sterimol/B3: 4.37536
  Sterimol/B4: 4.5048  Sterimol/L: 9.24304 
 
 Surface and Volume Properties
  Accessible surface: 361.087  Positive charged surface: 257.656  Negative charged surface: 103.431  Volume: 191.625
  Hydrophobic surface: 239.276  Hydrophilic surface: 121.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.