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


PUBCHEM-ZINC03742399

 MMsINC code: MMs03067313
Type: Neutral
Formula: C18H16ClNO4
SMILES:   Clc1c2[nH]c(-c3cc(OC)ccc3OC)c(c2ccc1)CC(O)=O
InChI:   InChI=1/C18H16ClNO4/c1-23-10-6-7-15(24-2)13(8-10)17-12(9-16(21)22)11-4-3-5-14(19)18(11)20-17/h3-8,20H,9H2,1-2H3,(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)=76.7249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.782 g/mol  logS: -4.93588  SlogP: 4.13257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221649  Sterimol/B1: 3.4465  Sterimol/B2: 4.85192  Sterimol/B3: 5.27869
  Sterimol/B4: 6.91651  Sterimol/L: 14.843 
 
 Surface and Volume Properties
  Accessible surface: 577.397  Positive charged surface: 357.402  Negative charged surface: 216.543  Volume: 309.5
  Hydrophobic surface: 461.65  Hydrophilic surface: 115.747
 
 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


MMs03067314
PUBCHEM-ZINC03742399