MMsINC Database Search


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MMsINC code: MMs02442917

Type: Neutral
Formula: C₁₁H₂₀O₇S

SMILES:

S(OC1C2OC(OC2C(OC1C)OC)(C)C)(=O)(=O)C

InChI:

InChI=1/C11H20O7S/c1-6-7(18-19(5,12)13)8-9(10(14-4)15-6)17-11(2,3)16-8/h6-10H,1-5H3/t6-,7-,8+,9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.722 kcal/mol

Physical Properties
Molecular Weight: 296.34 g/mol	logS: -1.74283	SlogP: 0.2425	Reactive groups: 0

Topological Properties
Globularity: 0.191829	Sterimol/B1: 3.03829	Sterimol/B2: 3.94211	Sterimol/B3: 4.1735
Sterimol/B4: 6.77177	Sterimol/L: 10.766

Surface and Volume Properties
Accessible surface: 477.713	Positive charged surface: 316.465	Negative charged surface: 161.247	Volume: 251.875
Hydrophobic surface: 322.715	Hydrophilic surface: 154.998

Pharmacophoric Properties
Hydrogen bond donors: 0	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.