MMsINC Database Search


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MMsINC code: MMs02144963

Type: Neutral
Formula: C₁₅H₁₆O₂S₂

SMILES:

S(=O)(=O)(CCSc1ccc(cc1)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5309 kcal/mol

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

Topological Properties
Globularity: 0.0420145	Sterimol/B1: 2.94438	Sterimol/B2: 3.61611	Sterimol/B3: 3.61893
Sterimol/B4: 4.96295	Sterimol/L: 18.0545

Surface and Volume Properties
Accessible surface: 537.329	Positive charged surface: 265.134	Negative charged surface: 272.195	Volume: 272.75
Hydrophobic surface: 445.614	Hydrophilic surface: 91.715

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.