MMsINC Database Search


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MMsINC code: MMs02555219

Type: Neutral
Formula: C₁₁H₁₅NO₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(OC)ccc1

InChI:

InChI=1/C11H15NO4S/c1-15-10-3-2-4-11(9-10)17(13,14)12-5-7-16-8-6-12/h2-4,9H,5-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1868 kcal/mol

Physical Properties
Molecular Weight: 257.31 g/mol	logS: -1.6403	SlogP: 0.7161	Reactive groups: 0

Topological Properties
Globularity: 0.077999	Sterimol/B1: 2.60368	Sterimol/B2: 2.90518	Sterimol/B3: 4.56376
Sterimol/B4: 5.62235	Sterimol/L: 13.098

Surface and Volume Properties
Accessible surface: 452.554	Positive charged surface: 321.379	Negative charged surface: 131.175	Volume: 226.875
Hydrophobic surface: 374.296	Hydrophilic surface: 78.258

Pharmacophoric Properties
Hydrogen bond donors: 0	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.