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


NCID-ZINC01613128

 MMsINC code: MMs02263304
Type: Neutral
Formula: C14H21NO
SMILES:   OC1CCCCC1NC(C)c1ccccc1
InChI:   InChI=1/C14H21NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)16/h2-4,7-8,11,13-16H,5-6,9-10H2,1H3/t11-,13+,14-/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)=39.5765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.328 g/mol  logS: -2.20597  SlogP: 2.7362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20981  Sterimol/B1: 2.24629  Sterimol/B2: 3.17336  Sterimol/B3: 4.58828
  Sterimol/B4: 6.5547  Sterimol/L: 12.2483 
 
 Surface and Volume Properties
  Accessible surface: 457.55  Positive charged surface: 326.104  Negative charged surface: 131.446  Volume: 239.5
  Hydrophobic surface: 390.84  Hydrophilic surface: 66.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02263305
NCID-ZINC01613128