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


ENAMINE-ZINC00484168

 MMsINC code: MMs01231348
Type: Neutral
Formula: C14H10Cl2O3
SMILES:   Clc1cc(Cl)ccc1OCc1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H10Cl2O3/c15-11-5-6-13(12(16)7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)

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)=57.7429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.137 g/mol  logS: -4.64114  SlogP: 4.537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683417  Sterimol/B1: 2.51568  Sterimol/B2: 2.88543  Sterimol/B3: 4.80759
  Sterimol/B4: 5.59832  Sterimol/L: 17.1998 
 
 Surface and Volume Properties
  Accessible surface: 504.287  Positive charged surface: 209.158  Negative charged surface: 295.13  Volume: 253.625
  Hydrophobic surface: 405.779  Hydrophilic surface: 98.508
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01231349
ENAMINE-ZINC00484168