MMsINC Database Search


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

MMsINC code: MMs03246935

Type: Neutral
Formula: C₆H₁₄O₅S

SMILES:

S(OCCOCCOC)(=O)(=O)C

InChI:

InChI=1/C6H14O5S/c1-9-3-4-10-5-6-11-12(2,7)8/h3-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.1696 kcal/mol

Physical Properties
Molecular Weight: 198.239 g/mol	logS: -0.24155	SlogP: -0.3744	Reactive groups: 0

Topological Properties
Globularity: 0.0812185	Sterimol/B1: 2.35313	Sterimol/B2: 2.44183	Sterimol/B3: 4.16876
Sterimol/B4: 5.6018	Sterimol/L: 12.5665

Surface and Volume Properties
Accessible surface: 418.471	Positive charged surface: 306.994	Negative charged surface: 111.477	Volume: 171.875
Hydrophobic surface: 321.845	Hydrophilic surface: 96.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.