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


NANOSIN-ZINC04589250

 MMsINC code: MMs02208031
Type: Neutral
Formula: C16H9Cl2NO2
SMILES:   Clc1ccccc1C=1OC(=O)/C(/N=1)=C\c1cc(Cl)ccc1
InChI:   InChI=1/C16H9Cl2NO2/c17-11-5-3-4-10(8-11)9-14-16(20)21-15(19-14)12-6-1-2-7-13(12)18/h1-9H/b14-9-

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)=100.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.159 g/mol  logS: -6.52559  SlogP: 4.3379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000550501  Sterimol/B1: 2.1608  Sterimol/B2: 2.27398  Sterimol/B3: 4.47496
  Sterimol/B4: 5.93207  Sterimol/L: 16.0583 
 
 Surface and Volume Properties
  Accessible surface: 496.701  Positive charged surface: 203.643  Negative charged surface: 293.058  Volume: 269
  Hydrophobic surface: 419.84  Hydrophilic surface: 76.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.