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


NANOSIN-ZINC01509440

 MMsINC code: MMs02196271
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(NCN2c3c(OC2=O)cc(Cl)cc3)ccc1
InChI:   InChI=1/C14H10Cl2N2O2/c15-9-2-1-3-11(6-9)17-8-18-12-5-4-10(16)7-13(12)20-14(18)19/h1-7,17H,8H2

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)=51.6218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.82125  SlogP: 4.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893281  Sterimol/B1: 2.2878  Sterimol/B2: 2.8866  Sterimol/B3: 4.75924
  Sterimol/B4: 5.63992  Sterimol/L: 15.4557 
 
 Surface and Volume Properties
  Accessible surface: 488.412  Positive charged surface: 211.765  Negative charged surface: 276.647  Volume: 260.125
  Hydrophobic surface: 410.509  Hydrophilic surface: 77.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.