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


NCID-ZINC01595070

 MMsINC code: MMs02249394
Type: Neutral
Formula: C19H33NO
SMILES:   OC(C(N(CC)CC)CCCC)c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H33NO/c1-6-9-10-18(20(7-2)8-3)19(21)17-13-11-16(12-14-17)15(4)5/h11-15,18-19,21H,6-10H2,1-5H3/t18-,19+/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)=110.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.479 g/mol  logS: -4.77199  SlogP: 4.8395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132078  Sterimol/B1: 2.62137  Sterimol/B2: 4.01894  Sterimol/B3: 4.59406
  Sterimol/B4: 6.6405  Sterimol/L: 16.9938 
 
 Surface and Volume Properties
  Accessible surface: 570.27  Positive charged surface: 406.065  Negative charged surface: 164.205  Volume: 333.5
  Hydrophobic surface: 436.321  Hydrophilic surface: 133.949
 
 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


MMs02249395
NCID-ZINC01595070