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MMsINC code: MMs03255995

Type: Neutral
Formula: C₁₃H₁₃FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N)ccc1C)c1ccc(F)cc1

InChI:

InChI=1/C13H13FN2O4S2/c1-9-2-5-12(21(15,17)18)8-13(9)16-22(19,20)11-6-3-10(14)4-7-11/h2-8,16H,1H3,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.2949 kcal/mol

Physical Properties
Molecular Weight: 344.387 g/mol	logS: -3.72878	SlogP: 1.58232	Reactive groups: 0

Topological Properties
Globularity: 0.279918	Sterimol/B1: 2.36669	Sterimol/B2: 2.9313	Sterimol/B3: 5.47266
Sterimol/B4: 8.31146	Sterimol/L: 12.7706

Surface and Volume Properties
Accessible surface: 496.737	Positive charged surface: 216.428	Negative charged surface: 280.308	Volume: 271.25
Hydrophobic surface: 307.258	Hydrophilic surface: 189.479

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03255996
PUBCHEM-ZINC05392739