MMsINC Database Search


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MMsINC code: MMs03744765

Type: Neutral
Formula: C₇H₁₄O₅S

SMILES:

S(C)C1C(O)C(O)C(OC1CO)O

InChI:

InChI=1/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/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)=82.3034 kcal/mol

Physical Properties
Molecular Weight: 210.25 g/mol	logS: 0.05553	SlogP: -1.8507	Reactive groups: 0

Topological Properties
Globularity: 0.258272	Sterimol/B1: 2.30037	Sterimol/B2: 2.52945	Sterimol/B3: 4.24165
Sterimol/B4: 6.56127	Sterimol/L: 9.90156

Surface and Volume Properties
Accessible surface: 373.559	Positive charged surface: 279.942	Negative charged surface: 93.617	Volume: 177.25
Hydrophobic surface: 180.66	Hydrophilic surface: 192.899

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.