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


CHEMBRIDGE-ZINC04842910

 MMsINC code: MMs00800302
Type: Neutral
Formula: C18H29NO4
SMILES:   O1CCN(CC1)CCOCCOc1cc(OCCCC)ccc1
InChI:   InChI=1/C18H29NO4/c1-2-3-10-22-17-5-4-6-18(16-17)23-15-14-21-13-9-19-7-11-20-12-8-19/h4-6,16H,2-3,7-15H2,1H3

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)=90.6713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.433 g/mol  logS: -2.86185  SlogP: 2.5931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576096  Sterimol/B1: 3.40612  Sterimol/B2: 3.73848  Sterimol/B3: 4.6444
  Sterimol/B4: 6.73433  Sterimol/L: 20.2161 
 
 Surface and Volume Properties
  Accessible surface: 665.075  Positive charged surface: 541.079  Negative charged surface: 123.997  Volume: 336.75
  Hydrophobic surface: 613.925  Hydrophilic surface: 51.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00800303
CHEMBRIDGE-ZINC04842910