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


NCID-ZINC05052730

 MMsINC code: MMs02434091
Type: Neutral
Formula: C18H29NO
SMILES:   OC(\C=C/c1ccccc1)C(CCCCC)CN(C)C
InChI:   InChI=1/C18H29NO/c1-4-5-7-12-17(15-19(2)3)18(20)14-13-16-10-8-6-9-11-16/h6,8-11,13-14,17-18,20H,4-5,7,12,15H2,1-3H3/b14-13-/t17-,18-/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)=77.4894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.436 g/mol  logS: -4.02403  SlogP: 3.8188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156915  Sterimol/B1: 2.93572  Sterimol/B2: 3.50714  Sterimol/B3: 5.06448
  Sterimol/B4: 7.06259  Sterimol/L: 15.4195 
 
 Surface and Volume Properties
  Accessible surface: 575.857  Positive charged surface: 434.343  Negative charged surface: 141.514  Volume: 313.875
  Hydrophobic surface: 514.36  Hydrophilic surface: 61.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02434092
NCID-ZINC05052730