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


CHEMBRIDGE-ZINC02845692

 MMsINC code: MMs00725737
Type: Neutral
Formula: C15H24N2O4
SMILES:   O(C)c1cc(OC)c(OC)cc1C(=O)NCCCN(C)C
InChI:   InChI=1/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-13(20-4)14(21-5)10-12(11)19-3/h9-10H,6-8H2,1-5H3,(H,16,18)

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)=86.1959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -1.78181  SlogP: 1.3939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220129  Sterimol/B1: 2.34198  Sterimol/B2: 3.88728  Sterimol/B3: 5.18381
  Sterimol/B4: 6.80901  Sterimol/L: 18.0504 
 
 Surface and Volume Properties
  Accessible surface: 587.633  Positive charged surface: 524.775  Negative charged surface: 62.8583  Volume: 298.125
  Hydrophobic surface: 525.09  Hydrophilic surface: 62.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00725738
CHEMBRIDGE-ZINC02845692