MMsINC Database Search


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MMsINC code: MMs02221005

Type: Neutral
Formula: C₈H₁₀O₆S₂

SMILES:

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

InChI:

InChI=1/C8H10O6S2/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8625 kcal/mol

Physical Properties
Molecular Weight: 266.294 g/mol	logS: -2.35532	SlogP: 0.4522	Reactive groups: 0

Topological Properties
Globularity: 0.162322	Sterimol/B1: 2.49067	Sterimol/B2: 4.32851	Sterimol/B3: 4.69537
Sterimol/B4: 5.06282	Sterimol/L: 13.2156

Surface and Volume Properties
Accessible surface: 432.408	Positive charged surface: 243.31	Negative charged surface: 189.097	Volume: 207
Hydrophobic surface: 194.388	Hydrophilic surface: 238.02

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02221006
NCID-ZINC01557932