MMsINC Database Search


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MMsINC code: MMs03130562

Type: Neutral
Formula: C₁₆H₁₅FS₂

SMILES:

S1Cc2cccc(CSCc3ccc(C1)cc3)c2F

InChI:

InChI=1/C16H15FS2/c17-16-14-2-1-3-15(16)11-19-9-13-6-4-12(5-7-13)8-18-10-14/h1-7H,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5235 kcal/mol

Physical Properties
Molecular Weight: 290.426 g/mol	logS: -5.50104	SlogP: 6.0715	Reactive groups: 0

Topological Properties
Globularity: 0.306965	Sterimol/B1: 2.34064	Sterimol/B2: 3.15601	Sterimol/B3: 4.12921
Sterimol/B4: 7.43344	Sterimol/L: 11.1793

Surface and Volume Properties
Accessible surface: 429.758	Positive charged surface: 269.675	Negative charged surface: 160.083	Volume: 268.125
Hydrophobic surface: 326.963	Hydrophilic surface: 102.795

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.