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


ENAMINE-ZINC03560753

 MMsINC code: MMs01508844
Type: Neutral
Formula: C19H14ClNO5
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)C(OC)=O)=O
InChI:   InChI=1/C19H14ClNO5/c1-11-16(17(21-26-11)14-5-3-4-6-15(14)20)19(23)25-13-9-7-12(8-10-13)18(22)24-2/h3-10H,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)=106.213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.776 g/mol  logS: -5.96988  SlogP: 4.30922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423978  Sterimol/B1: 2.21418  Sterimol/B2: 2.87293  Sterimol/B3: 4.4168
  Sterimol/B4: 10.2828  Sterimol/L: 16.9449 
 
 Surface and Volume Properties
  Accessible surface: 607.611  Positive charged surface: 310.507  Negative charged surface: 297.104  Volume: 326
  Hydrophobic surface: 518.554  Hydrophilic surface: 89.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.