MMsINC Database Search


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MMsINC code: MMs02949311

Type: Neutral
Formula: C₁₃H₁₂FNO₂S₂

SMILES:

S(C)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1

InChI:

InChI=1/C13H12FNO2S2/c1-18-10-6-8-11(9-7-10)19(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4456 kcal/mol

Physical Properties
Molecular Weight: 297.374 g/mol	logS: -4.3631	SlogP: 3.3484	Reactive groups: 0

Topological Properties
Globularity: 0.180069	Sterimol/B1: 3.14565	Sterimol/B2: 3.78029	Sterimol/B3: 4.21512
Sterimol/B4: 7.2444	Sterimol/L: 12.0889

Surface and Volume Properties
Accessible surface: 479.033	Positive charged surface: 217.324	Negative charged surface: 261.709	Volume: 252.5
Hydrophobic surface: 355.548	Hydrophilic surface: 123.485

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.