MMsINC Database Search


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MMsINC code: MMs02145896

Type: Neutral
Formula: C₁₅H₁₅FO₂S₂

SMILES:

S(=O)(=O)(CCSc1ccc(cc1)C)c1ccc(F)cc1

InChI:

InChI=1/C15H15FO2S2/c1-12-2-6-14(7-3-12)19-10-11-20(17,18)15-8-4-13(16)5-9-15/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.8064 kcal/mol

Physical Properties
Molecular Weight: 310.413 g/mol	logS: -5.11021	SlogP: 3.70012	Reactive groups: 0

Topological Properties
Globularity: 0.0418361	Sterimol/B1: 2.95531	Sterimol/B2: 3.61794	Sterimol/B3: 3.6207
Sterimol/B4: 4.95912	Sterimol/L: 18.3234

Surface and Volume Properties
Accessible surface: 542.417	Positive charged surface: 254.799	Negative charged surface: 287.618	Volume: 276.625
Hydrophobic surface: 450.702	Hydrophilic surface: 91.715

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