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


PUBCHEM-ZINC06567589

 MMsINC code: MMs03801574
Type: Neutral
Formula: C24H15ClO4
SMILES:   Clc1c2c3c(ccc2)C(OC(=O)c3cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChI:   InChI=1/C24H15ClO4/c25-21-13-12-19-22-18(21)2-1-3-20(22)24(29-23(19)28,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15/h1-13,26-27H

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)=137.792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.833 g/mol  logS: -7.31308  SlogP: 5.6782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320737  Sterimol/B1: 2.41655  Sterimol/B2: 3.13015  Sterimol/B3: 7.16335
  Sterimol/B4: 8.76628  Sterimol/L: 14.8713 
 
 Surface and Volume Properties
  Accessible surface: 592.629  Positive charged surface: 290.147  Negative charged surface: 294.408  Volume: 353.625
  Hydrophobic surface: 449.187  Hydrophilic surface: 143.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.