MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02329776

Type: Ionized
Formula: C₄H₉O₆S₂-

SMILES:

S(=O)(=O)([O-])CCCOS(=O)(=O)C

InChI:

InChI=1/C4H10O6S2/c1-11(5,6)10-3-2-4-12(7,8)9/h2-4H2,1H3,(H,7,8,9)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.15635 kcal/mol

Physical Properties
Molecular Weight: 217.242 g/mol	logS: -0.25011	SlogP: -1.1021	Reactive groups: 0

Topological Properties
Globularity: 0.0928574	Sterimol/B1: 2.74566	Sterimol/B2: 2.74955	Sterimol/B3: 3.46749
Sterimol/B4: 4.28308	Sterimol/L: 12.3581

Surface and Volume Properties
Accessible surface: 374.247	Positive charged surface: 156.102	Negative charged surface: 218.145	Volume: 154.25
Hydrophobic surface: 174.592	Hydrophilic surface: 199.655

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 3	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:

MMs02329775
NCID-ZINC01699832