MMsINC Database Search


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MMsINC code: MMs02456320

Type: Neutral
Formula: C₇H₁₄O₇S

SMILES:

S(OC1C(O)C(O)C(OC1C)O)(=O)(=O)C

InChI:

InChI=1/C7H14O7S/c1-3-6(14-15(2,11)12)4(8)5(9)7(10)13-3/h3-10H,1-2H3/t3-,4+,5-,6+,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7534 kcal/mol

Physical Properties
Molecular Weight: 242.248 g/mol	logS: 0.15193	SlogP: -2.2099	Reactive groups: 0

Topological Properties
Globularity: 0.232572	Sterimol/B1: 2.05064	Sterimol/B2: 2.55534	Sterimol/B3: 4.50391
Sterimol/B4: 5.97497	Sterimol/L: 10.8683

Surface and Volume Properties
Accessible surface: 392.728	Positive charged surface: 228.993	Negative charged surface: 163.736	Volume: 188
Hydrophobic surface: 151.48	Hydrophilic surface: 241.248

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.