MMsINC Database Search


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MMsINC code: MMs03744768

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+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1277 kcal/mol

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

Topological Properties
Globularity: 0.248628	Sterimol/B1: 2.19995	Sterimol/B2: 2.80302	Sterimol/B3: 3.99026
Sterimol/B4: 7.48506	Sterimol/L: 10.0468

Surface and Volume Properties
Accessible surface: 374.627	Positive charged surface: 266.483	Negative charged surface: 108.144	Volume: 178.75
Hydrophobic surface: 169.757	Hydrophilic surface: 204.87

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.