MMsINC Database Search


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MMsINC code: MMs02329775

Type: Neutral
Formula: C₄H₁₀O₆S₂

SMILES:

S(O)(=O)(=O)CCCOS(=O)(=O)C

InChI:

InChI=1/C4H10O6S2/c1-11(5,6)10-3-2-4-12(7,8)9/h2-4H2,1H3,(H,7,8,9)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.87138 kcal/mol

Physical Properties
Molecular Weight: 218.25 g/mol	logS: -0.17859	SlogP: -1.3252	Reactive groups: 0

Topological Properties
Globularity: 0.0777523	Sterimol/B1: 2.10416	Sterimol/B2: 3.16419	Sterimol/B3: 3.32542
Sterimol/B4: 4.36343	Sterimol/L: 12.6471

Surface and Volume Properties
Accessible surface: 380.135	Positive charged surface: 177.854	Negative charged surface: 202.282	Volume: 157.375
Hydrophobic surface: 171.986	Hydrophilic surface: 208.149

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

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Ions/Tautomers related molecules

MMs02329776
NCID-ZINC01699832