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


IBS-ZINC05428462

 MMsINC code: MMs01946840
Type: Neutral
Formula: C24H20ClNO3
SMILES:   Clc1ccc(cc1)-c1c(onc1C)-c1ccc(OCc2ccc(cc2)C)cc1O
InChI:   InChI=1/C24H20ClNO3/c1-15-3-5-17(6-4-15)14-28-20-11-12-21(22(27)13-20)24-23(16(2)26-29-24)18-7-9-19(25)10-8-18/h3-13,27H,14H2,1-2H3

Download   format file 
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)=131.433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.881 g/mol  logS: -7.83072  SlogP: 6.82984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425241  Sterimol/B1: 3.60213  Sterimol/B2: 3.65551  Sterimol/B3: 5.90522
  Sterimol/B4: 7.05211  Sterimol/L: 19.5458 
 
 Surface and Volume Properties
  Accessible surface: 687.397  Positive charged surface: 362.677  Negative charged surface: 324.72  Volume: 380.75
  Hydrophobic surface: 611.165  Hydrophilic surface: 76.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.