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


PUBCHEM-ZINC02019592

 MMsINC code: MMs02855207
Type: Neutral
Formula: C19H31NO
SMILES:   O(CCN(C)C)C1(CCCCC1C)c1ccccc1CC
InChI:   InChI=1/C19H31NO/c1-5-17-11-6-7-12-18(17)19(21-15-14-20(3)4)13-9-8-10-16(19)2/h6-7,11-12,16H,5,8-10,13-15H2,1-4H3/t16-,19+/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)=267.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.463 g/mol  logS: -4.06102  SlogP: 4.54407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304575  Sterimol/B1: 3.16178  Sterimol/B2: 3.89447  Sterimol/B3: 6.0133
  Sterimol/B4: 7.01204  Sterimol/L: 12.7454 
 
 Surface and Volume Properties
  Accessible surface: 530.186  Positive charged surface: 414.326  Negative charged surface: 115.861  Volume: 318.875
  Hydrophobic surface: 497.517  Hydrophilic surface: 32.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02855208
PUBCHEM-ZINC02019592