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


PUBCHEM-ZINC05511507

 MMsINC code: MMs03292228
Type: Neutral
Formula: C17H24N2O2
SMILES:   O(C(=O)CCCCCC)c1cc2c([nH]cc2CCN)cc1
InChI:   InChI=1/C17H24N2O2/c1-2-3-4-5-6-17(20)21-14-7-8-16-15(11-14)13(9-10-18)12-19-16/h7-8,11-12,19H,2-6,9-10,18H2,1H3

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)=40.3336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.391 g/mol  logS: -4.01734  SlogP: 3.54487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381445  Sterimol/B1: 2.1143  Sterimol/B2: 4.27475  Sterimol/B3: 4.82396
  Sterimol/B4: 6.3768  Sterimol/L: 18.5035 
 
 Surface and Volume Properties
  Accessible surface: 606.229  Positive charged surface: 441.216  Negative charged surface: 159.882  Volume: 303.25
  Hydrophobic surface: 433.641  Hydrophilic surface: 172.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03292229
PUBCHEM-ZINC05511507