MMsINC Database Search


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

MMsINC code: MMs02136368

Type: Neutral
Formula: C₁₀H₆F₃NS₂

SMILES:

s1cccc1Sc1ncc(cc1)C(F)(F)F

InChI:

InChI=1/C10H6F3NS2/c11-10(12,13)7-3-4-8(14-6-7)16-9-2-1-5-15-9/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4977 kcal/mol

Physical Properties
Molecular Weight: 261.291 g/mol	logS: -4.30482	SlogP: 4.6246	Reactive groups: 0

Topological Properties
Globularity: 0.0111284	Sterimol/B1: 2.18463	Sterimol/B2: 2.81653	Sterimol/B3: 3.60101
Sterimol/B4: 4.78297	Sterimol/L: 13.4798

Surface and Volume Properties
Accessible surface: 413.548	Positive charged surface: 149.139	Negative charged surface: 264.408	Volume: 201.625
Hydrophobic surface: 301.846	Hydrophilic surface: 111.702

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.