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


PUBCHEM-ZINC00377891

 MMsINC code: MMs02667394
Type: Neutral
Formula: C19H31NO
SMILES:   O(C(c1c(cccc1C)C)C1CCCCC1)CCN(C)C
InChI:   InChI=1/C19H31NO/c1-15-9-8-10-16(2)18(15)19(21-14-13-20(3)4)17-11-6-5-7-12-17/h8-10,17,19H,5-7,11-14H2,1-4H3/t19-/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)=111.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.463 g/mol  logS: -4.52118  SlogP: 4.59854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293647  Sterimol/B1: 2.68908  Sterimol/B2: 5.07215  Sterimol/B3: 5.61803
  Sterimol/B4: 6.10582  Sterimol/L: 12.2635 
 
 Surface and Volume Properties
  Accessible surface: 542.543  Positive charged surface: 435.619  Negative charged surface: 106.924  Volume: 325.125
  Hydrophobic surface: 542.543  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02667395
PUBCHEM-ZINC00377891