MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03739110

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(F)ccc2)ccc1C

InChI:

InChI=1/C13H11ClFNO2S/c1-9-5-6-11(8-13(9)14)16-19(17,18)12-4-2-3-10(15)7-12/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0251 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.23646	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.206568	Sterimol/B1: 3.34458	Sterimol/B2: 3.63396	Sterimol/B3: 4.73531
Sterimol/B4: 5.94849	Sterimol/L: 12.715

Surface and Volume Properties
Accessible surface: 472.626	Positive charged surface: 203.157	Negative charged surface: 269.469	Volume: 247.625
Hydrophobic surface: 391.727	Hydrophilic surface: 80.899

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.