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


ASINEX-ZINC00444245

MMsINC code: MMs00135019

Type: Neutral
Formula: C12H10FNO3
SMILES:   Fc1ccc(cc1)C1NC(=O)C(=O)C1C(=O)C
InChI:   InChI=1/C12H10FNO3/c1-6(15)9-10(14-12(17)11(9)16)7-2-4-8(13)5-3-7/h2-5,9-10H,1H3,(H,14,17)/t9-,10-/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)=33.7194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.214 g/mol  logS: -2.40137  SlogP: 0.8664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162644  Sterimol/B1: 2.49633  Sterimol/B2: 2.55917  Sterimol/B3: 3.86315
  Sterimol/B4: 7.2288  Sterimol/L: 11.9571 
 
 Surface and Volume Properties
  Accessible surface: 420.645  Positive charged surface: 200.803  Negative charged surface: 219.842  Volume: 202.375
  Hydrophobic surface: 275.052  Hydrophilic surface: 145.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00135022
ASINEX-ZINC00444245


MMs00135021
ASINEX-ZINC00444245


MMs00135023
ASINEX-ZINC00444245


MMs00135020
ASINEX-ZINC00444245