MMsINC Database Search


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MMsINC code: MMs02340956

Type: Ionized
Formula: C₈H₄F₃O₄S₂-

SMILES:

S(SC(F)(F)F)(=O)(=O)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C8H5F3O4S2/c9-8(10,11)16-17(14,15)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.45086 kcal/mol

Physical Properties
Molecular Weight: 285.242 g/mol	logS: -3.99817	SlogP: 1.4117	Reactive groups: 0

Topological Properties
Globularity: 0.0953628	Sterimol/B1: 3.11206	Sterimol/B2: 3.15398	Sterimol/B3: 3.86604
Sterimol/B4: 4.75049	Sterimol/L: 12.5448

Surface and Volume Properties
Accessible surface: 403.309	Positive charged surface: 91.3138	Negative charged surface: 311.995	Volume: 190.125
Hydrophobic surface: 123.408	Hydrophilic surface: 279.901

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

search links for this molecule:

Parent related molecule:

MMs02340955
NCID-ZINC01714922