MMsINC Database Search


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MMsINC code: MMs00698109

Type: Ionized
Formula: C₉H₃F₆O₂S₂-

SMILES:

S(C(F)(F)F)c1cc(cc(SC(F)(F)F)c1)C(=O)[O-]

InChI:

InChI=1/C9H4F6O2S2/c10-8(11,12)18-5-1-4(7(16)17)2-6(3-5)19-9(13,14)15/h1-3H,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4781 kcal/mol

Physical Properties
Molecular Weight: 321.241 g/mol	logS: -5.93543	SlogP: 4.1137	Reactive groups: 0

Topological Properties
Globularity: 0.0908889	Sterimol/B1: 2.84706	Sterimol/B2: 3.27211	Sterimol/B3: 4.1116
Sterimol/B4: 6.54338	Sterimol/L: 10.4153

Surface and Volume Properties
Accessible surface: 422.461	Positive charged surface: 69.0933	Negative charged surface: 353.368	Volume: 207.5
Hydrophobic surface: 72.3937	Hydrophilic surface: 350.0673

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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:

MMs00698108
CHEMBRIDGE-ZINC01799251