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MMsINC code: MMs02568182

Type: Ionized
Formula: C₇H₃FO₅S-2

SMILES:

S(=O)(=O)([O-])c1cc(C(=O)[O-])c(F)cc1

InChI:

InChI=1/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8805 kcal/mol

Physical Properties
Molecular Weight: 218.16 g/mol	logS: -2.0313	SlogP: -0.9067	Reactive groups: 0

Topological Properties
Globularity: 0.0464928	Sterimol/B1: 2.60029	Sterimol/B2: 3.10504	Sterimol/B3: 3.16362
Sterimol/B4: 5.56235	Sterimol/L: 10.7339

Surface and Volume Properties
Accessible surface: 345.125	Positive charged surface: 87.2803	Negative charged surface: 257.845	Volume: 150.625
Hydrophobic surface: 141.791	Hydrophilic surface: 203.334

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 5	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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Parent related molecule:

MMs02568181
OTAVA-ZINC01926206