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


PUBCHEM-ZINC03604820

 MMsINC code: MMs03020119
Type: Neutral
Formula: C16H25NO
SMILES:   Oc1cc(ccc1)C1(CCN(C1)C)CC(C)(C)C
InChI:   InChI=1/C16H25NO/c1-15(2,3)11-16(8-9-17(4)12-16)13-6-5-7-14(18)10-13/h5-7,10,18H,8-9,11-12H2,1-4H3/t16-/m0/s1

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)=345.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.382 g/mol  logS: -3.44367  SlogP: 3.4017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177131  Sterimol/B1: 2.05105  Sterimol/B2: 3.74819  Sterimol/B3: 4.78502
  Sterimol/B4: 5.98886  Sterimol/L: 12.3441 
 
 Surface and Volume Properties
  Accessible surface: 461.714  Positive charged surface: 339.504  Negative charged surface: 122.21  Volume: 260.75
  Hydrophobic surface: 372.506  Hydrophilic surface: 89.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03020120
PUBCHEM-ZINC03604820