MMsINC Database Search


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MMsINC code: MMs02688813

Type: Neutral
Formula: C₁₅H₁₆O₂S₂

SMILES:

S(=O)(=O)(CSc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H16O2S2/c1-12-3-7-14(8-4-12)18-11-19(16,17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4292 kcal/mol

Physical Properties
Molecular Weight: 292.423 g/mol	logS: -4.99465	SlogP: 3.82694	Reactive groups: 0

Topological Properties
Globularity: 0.0582495	Sterimol/B1: 2.42815	Sterimol/B2: 3.27137	Sterimol/B3: 4.86625
Sterimol/B4: 5.56384	Sterimol/L: 15.677

Surface and Volume Properties
Accessible surface: 507.657	Positive charged surface: 270.367	Negative charged surface: 237.29	Volume: 272
Hydrophobic surface: 430.075	Hydrophilic surface: 77.582

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.