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


PUBCHEM-ZINC03714691

 MMsINC code: MMs03054897
Type: Neutral
Formula: C19H32N2O3
SMILES:   O(C)c1c(OC)c(OC)ccc1C(N1CCCNCC1)CCCC
InChI:   InChI=1/C19H32N2O3/c1-5-6-8-16(21-13-7-11-20-12-14-21)15-9-10-17(22-2)19(24-4)18(15)23-3/h9-10,16,20H,5-8,11-14H2,1-4H3/t16-/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)=122.777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.476 g/mol  logS: -3.08444  SlogP: 3.3345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268216  Sterimol/B1: 2.68976  Sterimol/B2: 4.83249  Sterimol/B3: 5.58555
  Sterimol/B4: 8.17281  Sterimol/L: 14.9647 
 
 Surface and Volume Properties
  Accessible surface: 612.552  Positive charged surface: 532.43  Negative charged surface: 80.1219  Volume: 353.5
  Hydrophobic surface: 556.629  Hydrophilic surface: 55.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03054898
PUBCHEM-ZINC03714691