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


CHEMDIV-ZINC06811313

MMsINC code: MMs01038983

Type: Neutral
Formula: C18H14ClNO3
SMILES:   Clc1ccc(NC(=O)C=2Oc3c(cc(cc3C)C)C(=O)C=2)cc1
InChI:   InChI=1/C18H14ClNO3/c1-10-7-11(2)17-14(8-10)15(21)9-16(23-17)18(22)20-13-5-3-12(19)4-6-13/h3-9H,1-2H3,(H,20,22)

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)=74.1886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.767 g/mol  logS: -6.1457  SlogP: 4.05454  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0139477  Sterimol/B1: 2.61359  Sterimol/B2: 2.91119  Sterimol/B3: 4.68739
  Sterimol/B4: 5.37958  Sterimol/L: 18.327 
 
 Surface and Volume Properties
  Accessible surface: 556.689  Positive charged surface: 275.36  Negative charged surface: 281.329  Volume: 296.125
  Hydrophobic surface: 480.348  Hydrophilic surface: 76.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.