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


PUBCHEM-ZINC00007563

 MMsINC code: MMs02626314
Type: Neutral
Formula: C15H13ClFNO2
SMILES:   Clc1cccc(F)c1Nc1ccc(cc1CC(O)=O)C
InChI:   InChI=1/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)

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)=78.1089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.725 g/mol  logS: -4.53926  SlogP: 4.15819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162798  Sterimol/B1: 2.8652  Sterimol/B2: 3.36429  Sterimol/B3: 4.59464
  Sterimol/B4: 6.87443  Sterimol/L: 13.3181 
 
 Surface and Volume Properties
  Accessible surface: 487.537  Positive charged surface: 257.092  Negative charged surface: 230.445  Volume: 261
  Hydrophobic surface: 392.25  Hydrophilic surface: 95.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02626315
PUBCHEM-ZINC00007563