MMsINC Database Search


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MMsINC code: MMs02144971

Type: Neutral
Formula: C₁₅H₁₆O₂S₂

SMILES:

S(=O)(=O)(CCSc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C15H16O2S2/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.49 kcal/mol

Physical Properties
Molecular Weight: 292.423 g/mol	logS: -4.81523	SlogP: 3.56102	Reactive groups: 0

Topological Properties
Globularity: 0.0424307	Sterimol/B1: 3.42921	Sterimol/B2: 3.61783	Sterimol/B3: 3.61811
Sterimol/B4: 4.50027	Sterimol/L: 18.09

Surface and Volume Properties
Accessible surface: 534.318	Positive charged surface: 265.57	Negative charged surface: 268.748	Volume: 275
Hydrophobic surface: 443.602	Hydrophilic surface: 90.716

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.