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


CHEMBRIDGE-ZINC04825627

 MMsINC code: MMs00793951
Type: Neutral
Formula: C15H10Cl3NO4
SMILES:   Clc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C(O)=O
InChI:   InChI=1/C15H10Cl3NO4/c16-8-2-4-13(11(18)5-8)23-7-14(20)19-12-6-9(17)1-3-10(12)15(21)22/h1-6H,7H2,(H,19,20)(H,21,22)

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)=80.7758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.607 g/mol  logS: -5.60396  SlogP: 4.3625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195978  Sterimol/B1: 2.6701  Sterimol/B2: 3.43343  Sterimol/B3: 4.53871
  Sterimol/B4: 6.35453  Sterimol/L: 17.4082 
 
 Surface and Volume Properties
  Accessible surface: 578.101  Positive charged surface: 226.786  Negative charged surface: 351.315  Volume: 295.125
  Hydrophobic surface: 449.823  Hydrophilic surface: 128.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00793952
CHEMBRIDGE-ZINC04825627