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


CHEMBRIDGE-ZINC04987641

 MMsINC code: MMs00820467
Type: Neutral
Formula: C15H23NO3
SMILES:   O(C)c1c(OC)c(OC)ccc1CN1CCCCC1
InChI:   InChI=1/C15H23NO3/c1-17-13-8-7-12(14(18-2)15(13)19-3)11-16-9-5-4-6-10-16/h7-8H,4-6,9-11H2,1-3H3

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)=90.3316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -2.16162  SlogP: 2.9647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191173  Sterimol/B1: 2.92452  Sterimol/B2: 3.08635  Sterimol/B3: 5.20822
  Sterimol/B4: 6.47752  Sterimol/L: 14.2347 
 
 Surface and Volume Properties
  Accessible surface: 510.639  Positive charged surface: 439.192  Negative charged surface: 71.4475  Volume: 275.75
  Hydrophobic surface: 491.438  Hydrophilic surface: 19.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00820468
CHEMBRIDGE-ZINC04987641