MMsINC Database Search


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MMsINC code: MMs02477543

Type: Neutral
Formula: C₈H₇FN₄O₄S₃

SMILES:

s1c(nnc1S(=O)(=O)N)NS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C8H7FN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.63265 kcal/mol

Physical Properties
Molecular Weight: 338.364 g/mol	logS: -4.10826	SlogP: 0.1254	Reactive groups: 0

Topological Properties
Globularity: 0.0904931	Sterimol/B1: 2.6955	Sterimol/B2: 3.83978	Sterimol/B3: 4.84095
Sterimol/B4: 5.76196	Sterimol/L: 13.1248

Surface and Volume Properties
Accessible surface: 480.37	Positive charged surface: 179.64	Negative charged surface: 300.73	Volume: 232.75
Hydrophobic surface: 219.539	Hydrophilic surface: 260.831

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02477544
NCID-ZINC05579284