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MMsINC code: MMs03268155

Type: Neutral
Formula: C₈H₈FNO₅S

SMILES:

S(Oc1cc(F)c(NC(=O)C)cc1)(O)(=O)=O

InChI:

InChI=1/C8H8FNO5S/c1-5(11)10-8-3-2-6(4-7(8)9)15-16(12,13)14/h2-4H,1H3,(H,10,11)(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9163 kcal/mol

Physical Properties
Molecular Weight: 249.218 g/mol	logS: -2.07216	SlogP: 0.4	Reactive groups: 0

Topological Properties
Globularity: 0.0412751	Sterimol/B1: 2.9211	Sterimol/B2: 2.992	Sterimol/B3: 3.74694
Sterimol/B4: 4.11757	Sterimol/L: 13.8084

Surface and Volume Properties
Accessible surface: 402.359	Positive charged surface: 194.981	Negative charged surface: 207.378	Volume: 184.25
Hydrophobic surface: 222.498	Hydrophilic surface: 179.861

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs03268156
PUBCHEM-ZINC05431737