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MMsINC code: MMs02368302

Type: Ionized
Formula: C₄H₈O₆S₂-2

SMILES:

S(=O)(=O)([O-])CCCCS(=O)(=O)[O-]

InChI:

InChI=1/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.8983 kcal/mol

Physical Properties
Molecular Weight: 216.234 g/mol	logS: -0.17822	SlogP: -1.143	Reactive groups: 0

Topological Properties
Globularity: 0.0935554	Sterimol/B1: 2.45401	Sterimol/B2: 3.04305	Sterimol/B3: 3.04314
Sterimol/B4: 3.19864	Sterimol/L: 12.4033

Surface and Volume Properties
Accessible surface: 357.551	Positive charged surface: 123.707	Negative charged surface: 233.844	Volume: 149.625
Hydrophobic surface: 124.743	Hydrophilic surface: 232.808

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 6	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

search links for this molecule:

Parent related molecule:

MMs02368301
NCID-ZINC01763010