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


PUBCHEM-ZINC03757260

 MMsINC code: MMs03071814
Type: Neutral
Formula: C19H16ClNO2
SMILES:   Clc1cc(ccc1)-c1nc2c(cc(cc2)C(C)C)c(c1)C(O)=O
InChI:   InChI=1/C19H16ClNO2/c1-11(2)12-6-7-17-15(9-12)16(19(22)23)10-18(21-17)13-4-3-5-14(20)8-13/h3-11H,1-2H3,(H,22,23)

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)=80.1656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.795 g/mol  logS: -6.57665  SlogP: 5.3768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304733  Sterimol/B1: 2.37657  Sterimol/B2: 4.0377  Sterimol/B3: 4.8713
  Sterimol/B4: 6.83867  Sterimol/L: 16.6099 
 
 Surface and Volume Properties
  Accessible surface: 565.726  Positive charged surface: 285.103  Negative charged surface: 268.72  Volume: 307.25
  Hydrophobic surface: 415.559  Hydrophilic surface: 150.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03071815
PUBCHEM-ZINC03757260