MMsINC Database Search


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

MMsINC code: MMs02954357

Type: Neutral
Formula: C₁₃H₁₁F₂NO₂S₂

SMILES:

S(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1

InChI:

InChI=1/C13H11F2NO2S2/c1-19-10-3-5-11(6-4-10)20(17,18)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5202 kcal/mol

Physical Properties
Molecular Weight: 315.364 g/mol	logS: -4.65808	SlogP: 3.4875	Reactive groups: 0

Topological Properties
Globularity: 0.179939	Sterimol/B1: 3.36434	Sterimol/B2: 3.7835	Sterimol/B3: 4.20856
Sterimol/B4: 7.2908	Sterimol/L: 12.0848

Surface and Volume Properties
Accessible surface: 485.778	Positive charged surface: 207.26	Negative charged surface: 278.517	Volume: 253.75
Hydrophobic surface: 362.882	Hydrophilic surface: 122.896

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.