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


NCID-ZINC04692418

 MMsINC code: MMs02393984
Type: Neutral
Formula: C15H25NO
SMILES:   OC(C(CC(N(C)C)C)c1ccccc1)CC
InChI:   InChI=1/C15H25NO/c1-5-15(17)14(11-12(2)16(3)4)13-9-7-6-8-10-13/h6-10,12,14-15,17H,5,11H2,1-4H3/t12-,14-,15+/m1/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)=78.6024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.04778  SlogP: 2.8813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238441  Sterimol/B1: 3.58751  Sterimol/B2: 4.02717  Sterimol/B3: 4.72752
  Sterimol/B4: 5.13257  Sterimol/L: 12.297 
 
 Surface and Volume Properties
  Accessible surface: 456.879  Positive charged surface: 350.795  Negative charged surface: 106.084  Volume: 265.5
  Hydrophobic surface: 388.341  Hydrophilic surface: 68.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02393985
NCID-ZINC04692418