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


NCID-ZINC01602818

 MMsINC code: MMs02255596
Type: Neutral
Formula: C17H23NO
SMILES:   OC(C(N(CC)CC)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C17H23NO/c1-4-18(5-2)13(3)17(19)16-12-8-10-14-9-6-7-11-15(14)16/h6-13,17,19H,4-5H2,1-3H3/t13-,17+/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)=93.5903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.377 g/mol  logS: -3.9133  SlogP: 3.699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248526  Sterimol/B1: 3.5733  Sterimol/B2: 4.24179  Sterimol/B3: 5.01234
  Sterimol/B4: 6.14185  Sterimol/L: 12.9132 
 
 Surface and Volume Properties
  Accessible surface: 476.271  Positive charged surface: 295.481  Negative charged surface: 174.833  Volume: 277.625
  Hydrophobic surface: 393.208  Hydrophilic surface: 83.063
 
 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


MMs02255597
NCID-ZINC01602818