MMsINC Database Search


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MMsINC code: MMs02895263

Type: Neutral
Formula: C₁₅H₈F₆OS

SMILES:

S(CCC(=O)c1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F

InChI:

InChI=1/C15H8F6OS/c16-8-3-1-7(2-4-8)9(22)5-6-23-15-13(20)11(18)10(17)12(19)14(15)21/h1-4H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5584 kcal/mol

Physical Properties
Molecular Weight: 350.282 g/mol	logS: -6.15733	SlogP: 4.8863	Reactive groups: 0

Topological Properties
Globularity: 0.0561481	Sterimol/B1: 2.49416	Sterimol/B2: 3.8658	Sterimol/B3: 3.87435
Sterimol/B4: 5.10734	Sterimol/L: 17.3365

Surface and Volume Properties
Accessible surface: 518.227	Positive charged surface: 205.184	Negative charged surface: 313.043	Volume: 263.5
Hydrophobic surface: 459.225	Hydrophilic surface: 59.002

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.