MMsINC Database Search


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MMsINC code: MMs03533859

Type: Neutral
Formula: C₁₅H₁₃FO₂S

SMILES:

S(=O)(=O)(\C(\F)=C\c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C15H13FO2S/c1-12-7-9-14(10-8-12)19(17,18)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.277 kcal/mol

Physical Properties
Molecular Weight: 276.331 g/mol	logS: -4.71841	SlogP: 3.84572	Reactive groups: 0

Topological Properties
Globularity: 0.0604001	Sterimol/B1: 2.87226	Sterimol/B2: 3.37079	Sterimol/B3: 4.09549
Sterimol/B4: 6.12263	Sterimol/L: 13.6347

Surface and Volume Properties
Accessible surface: 458.452	Positive charged surface: 220.023	Negative charged surface: 238.428	Volume: 248.75
Hydrophobic surface: 410.056	Hydrophilic surface: 48.396

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.