MMsINC Database Search


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MMsINC code: MMs03494827

Type: Neutral
Formula: C₄H₁₀O₄S

SMILES:

S(OCCCO)(=O)(=O)C

InChI:

InChI=1/C4H10O4S/c1-9(6,7)8-4-2-3-5/h5H,2-4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.9758 kcal/mol

Physical Properties
Molecular Weight: 154.186 g/mol	logS: 0.0445	SlogP: -0.655	Reactive groups: 0

Topological Properties
Globularity: 0.0966554	Sterimol/B1: 2.15736	Sterimol/B2: 2.89343	Sterimol/B3: 3.43003
Sterimol/B4: 4.41393	Sterimol/L: 11.1463

Surface and Volume Properties
Accessible surface: 329.392	Positive charged surface: 202.051	Negative charged surface: 127.341	Volume: 127.875
Hydrophobic surface: 191.405	Hydrophilic surface: 137.987

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.