MMsINC Database Search


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MMsINC code: MMs03309707

Type: Neutral
Formula: C₈H₉F₃N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNS(=O)(=O)C(F)(F)F

InChI:

InChI=1/C8H9F3N2O4S2/c9-8(10,11)19(16,17)13-5-6-1-3-7(4-2-6)18(12,14)15/h1-4,13H,5H2,(H2,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5813 kcal/mol

Physical Properties
Molecular Weight: 318.296 g/mol	logS: -2.53246	SlogP: 0.9595	Reactive groups: 0

Topological Properties
Globularity: 0.0617647	Sterimol/B1: 2.45795	Sterimol/B2: 3.00538	Sterimol/B3: 3.74151
Sterimol/B4: 4.8078	Sterimol/L: 15.0276

Surface and Volume Properties
Accessible surface: 462.93	Positive charged surface: 166.15	Negative charged surface: 296.78	Volume: 216.25
Hydrophobic surface: 140.197	Hydrophilic surface: 322.733

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03309708
PUBCHEM-ZINC05569680