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


NCID-ZINC01753548

 MMsINC code: MMs02363364
Type: Neutral
Formula: C14H10ClFN2O3
SMILES:   Clc1cc(NC(=O)Nc2ccc(cc2)C(O)=O)ccc1F
InChI:   InChI=1/C14H10ClFN2O3/c15-11-7-10(5-6-12(11)16)18-14(21)17-9-3-1-8(2-4-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)

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)=56.1547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.696 g/mol  logS: -4.25072  SlogP: 3.8213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383398  Sterimol/B1: 2.56603  Sterimol/B2: 2.90136  Sterimol/B3: 3.89335
  Sterimol/B4: 4.75065  Sterimol/L: 17.5549 
 
 Surface and Volume Properties
  Accessible surface: 514.988  Positive charged surface: 246.276  Negative charged surface: 268.712  Volume: 254.125
  Hydrophobic surface: 356.285  Hydrophilic surface: 158.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02363365
NCID-ZINC01753548