MMsINC Database Search


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MMsINC code: MMs03323662

Type: Neutral
Formula: C₁₅H₁₈N₂O₂S₃

SMILES:

S(SC(=S)N(C)C)(=O)(=O)c1c2c(ccc1)c(N(C)C)ccc2

InChI:

InChI=1/C15H18N2O2S3/c1-16(2)13-9-5-8-12-11(13)7-6-10-14(12)22(18,19)21-15(20)17(3)4/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.455 kcal/mol

Physical Properties
Molecular Weight: 354.519 g/mol	logS: -6.0291	SlogP: 3.1742	Reactive groups: 0

Topological Properties
Globularity: 0.0606664	Sterimol/B1: 2.38214	Sterimol/B2: 3.28197	Sterimol/B3: 5.41456
Sterimol/B4: 5.79636	Sterimol/L: 15.5365

Surface and Volume Properties
Accessible surface: 552.063	Positive charged surface: 357.375	Negative charged surface: 185.746	Volume: 310.25
Hydrophobic surface: 438.744	Hydrophilic surface: 113.319

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.