MMsINC Database Search


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MMsINC code: MMs01494486

Type: Neutral
Formula: C₁₃H₁₁F₂NO₂S₂

SMILES:

S(C)c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.0829 kcal/mol

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

Topological Properties
Globularity: 0.181537	Sterimol/B1: 3.3032	Sterimol/B2: 3.3986	Sterimol/B3: 4.53126
Sterimol/B4: 5.89781	Sterimol/L: 12.8608

Surface and Volume Properties
Accessible surface: 481.152	Positive charged surface: 220.818	Negative charged surface: 260.334	Volume: 253.25
Hydrophobic surface: 361.756	Hydrophilic surface: 119.396

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.