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


PUBCHEM-ZINC02015398

 MMsINC code: MMs02851744
Type: Neutral
Formula: C14H23NO
SMILES:   OC(CCc1ccccc1)CNC(C)(C)C
InChI:   InChI=1/C14H23NO/c1-14(2,3)15-11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3/t13-/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)=47.6097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.344 g/mol  logS: -2.16771  SlogP: 2.36817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748963  Sterimol/B1: 2.13265  Sterimol/B2: 2.80483  Sterimol/B3: 4.78781
  Sterimol/B4: 4.81816  Sterimol/L: 15.8072 
 
 Surface and Volume Properties
  Accessible surface: 499.529  Positive charged surface: 329.752  Negative charged surface: 169.777  Volume: 251.375
  Hydrophobic surface: 392.989  Hydrophilic surface: 106.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02851745
PUBCHEM-ZINC02015398