MMsINC Database Search


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MMsINC code: MMs02763009

Type: Neutral
Formula: C₁₃H₁₁F₂NO₂S₂

SMILES:

S(C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5476 kcal/mol

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

Topological Properties
Globularity: 0.129353	Sterimol/B1: 3.126	Sterimol/B2: 3.67414	Sterimol/B3: 4.24068
Sterimol/B4: 6.38294	Sterimol/L: 14.2304

Surface and Volume Properties
Accessible surface: 483.458	Positive charged surface: 215.824	Negative charged surface: 267.635	Volume: 254.875
Hydrophobic surface: 357.593	Hydrophilic surface: 125.865

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

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Ions/Tautomers related molecules: no related molecules available.