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


PUBCHEM-ZINC03678848

 MMsINC code: MMs03040275
Type: Neutral
Formula: C19H16Cl2N2O2
SMILES:   Clc1cccc(Cl)c1C1NC(Cc2c1[nH]c1c2cccc1)C(OC)=O
InChI:   InChI=1/C19H16Cl2N2O2/c1-25-19(24)15-9-11-10-5-2-3-8-14(10)22-17(11)18(23-15)16-12(20)6-4-7-13(16)21/h2-8,15,18,22-23H,9H2,1H3/t15-,18+/m1/s1

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)=154.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.255 g/mol  logS: -5.39672  SlogP: 4.34687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172468  Sterimol/B1: 2.29438  Sterimol/B2: 3.93636  Sterimol/B3: 5.02345
  Sterimol/B4: 9.74583  Sterimol/L: 14.0519 
 
 Surface and Volume Properties
  Accessible surface: 572.417  Positive charged surface: 318.489  Negative charged surface: 251.388  Volume: 321.875
  Hydrophobic surface: 495.42  Hydrophilic surface: 76.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.