MMsINC Database Search


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MMsINC code: MMs02102937

Type: Neutral
Formula: C₁₅H₁₄O₂S

SMILES:

S(=O)(=O)(C\C=C\c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1593 kcal/mol

Physical Properties
Molecular Weight: 258.341 g/mol	logS: -3.79929	SlogP: 3.1737	Reactive groups: 0

Topological Properties
Globularity: 0.0254608	Sterimol/B1: 3.14531	Sterimol/B2: 3.47163	Sterimol/B3: 3.55073
Sterimol/B4: 4.01799	Sterimol/L: 16.7426

Surface and Volume Properties
Accessible surface: 499.03	Positive charged surface: 245.007	Negative charged surface: 254.023	Volume: 248.875
Hydrophobic surface: 432.266	Hydrophilic surface: 66.764

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.