MMsINC Database Search


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MMsINC code: MMs02357014

Type: Neutral
Formula: C₁₉H₂₀O₂S₂

SMILES:

S(C(SC(=O)C)(Cc1ccccc1)Cc1ccccc1)C(=O)C

InChI:

InChI=1/C19H20O2S2/c1-15(20)22-19(23-16(2)21,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.177 kcal/mol

Physical Properties
Molecular Weight: 344.499 g/mol	logS: -6.07834	SlogP: 4.72744	Reactive groups: 0

Topological Properties
Globularity: 0.481524	Sterimol/B1: 2.11478	Sterimol/B2: 4.9096	Sterimol/B3: 6.49562
Sterimol/B4: 9.49663	Sterimol/L: 13.1877

Surface and Volume Properties
Accessible surface: 564.293	Positive charged surface: 304.974	Negative charged surface: 259.319	Volume: 327.375
Hydrophobic surface: 507.88	Hydrophilic surface: 56.413

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.