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


ANALYTICONDISCOVERY-ZINC04222657

 MMsINC code: MMs00031153
Type: Neutral
Formula: C26H35NO4
SMILES:   O(CCOC)c1cc(c2c(CC(CC2)C(C(=O)NCc2ccc(OC)cc2)C)c1C)C
InChI:   InChI=1/C26H35NO4/c1-17-14-25(31-13-12-29-4)19(3)24-15-21(8-11-23(17)24)18(2)26(28)27-16-20-6-9-22(30-5)10-7-20/h6-7,9-10,14,18,21H,8,11-13,15-16H2,1-5H3,(H,27,28)/t18-,21+/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)=110.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.569 g/mol  logS: -5.72418  SlogP: 4.66098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236338  Sterimol/B1: 2.17189  Sterimol/B2: 3.25732  Sterimol/B3: 3.4852
  Sterimol/B4: 10.0183  Sterimol/L: 23.2725 
 
 Surface and Volume Properties
  Accessible surface: 785.847  Positive charged surface: 597.589  Negative charged surface: 188.258  Volume: 436.625
  Hydrophobic surface: 713.703  Hydrophilic surface: 72.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.