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


CHEMDIV-ZINC00167663

 MMsINC code: MMs00835146
Type: Neutral
Formula: C17H29NO
SMILES:   Oc1c(cc(cc1C(C)C)CN(CC)CC)C(C)C
InChI:   InChI=1/C17H29NO/c1-7-18(8-2)11-14-9-15(12(3)4)17(19)16(10-14)13(5)6/h9-10,12-13,19H,7-8,11H2,1-6H3

Download   format file 
Drug Similarity  |  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)=56.1469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.425 g/mol  logS: -3.93062  SlogP: 4.7472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20031  Sterimol/B1: 2.1632  Sterimol/B2: 3.6858  Sterimol/B3: 5.32961
  Sterimol/B4: 7.98469  Sterimol/L: 12.2069 
 
 Surface and Volume Properties
  Accessible surface: 550.846  Positive charged surface: 406.17  Negative charged surface: 144.675  Volume: 303.625
  Hydrophobic surface: 389.46  Hydrophilic surface: 161.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00835147
CHEMDIV-ZINC00167663