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


PUBCHEM-ZINC01849468

 MMsINC code: MMs02825265
Type: Neutral
Formula: C14H8Cl2N2O2
SMILES:   Clc1cc(Cl)cc(-c2nc(O)c3c(n2)cccc3)c1O
InChI:   InChI=1/C14H8Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)

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)=57.3253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.136 g/mol  logS: -5.87602  SlogP: 4.0148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00368895  Sterimol/B1: 2.2136  Sterimol/B2: 2.21434  Sterimol/B3: 4.99929
  Sterimol/B4: 5.0161  Sterimol/L: 14.3016 
 
 Surface and Volume Properties
  Accessible surface: 489.673  Positive charged surface: 203.829  Negative charged surface: 274.773  Volume: 250.75
  Hydrophobic surface: 374.417  Hydrophilic surface: 115.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.