MMsINC Database Search


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MMsINC code: MMs02550230

Type: Neutral
Formula: C₁₅H₁₂F₂OS

SMILES:

S(CC)c1ccc(cc1)C(=O)c1cc(F)cc(F)c1

InChI:

InChI=1/C15H12F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5717 kcal/mol

Physical Properties
Molecular Weight: 278.322 g/mol	logS: -5.39626	SlogP: 4.3078	Reactive groups: 0

Topological Properties
Globularity: 0.0233979	Sterimol/B1: 2.48968	Sterimol/B2: 3.23196	Sterimol/B3: 3.9408
Sterimol/B4: 4.75458	Sterimol/L: 16.3961

Surface and Volume Properties
Accessible surface: 486.316	Positive charged surface: 233.848	Negative charged surface: 252.468	Volume: 248.25
Hydrophobic surface: 393.796	Hydrophilic surface: 92.52

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.