MMsINC Database Search


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MMsINC code: MMs01287157

Type: Neutral
Formula: C₁₁H₁₇NO₄S

SMILES:

S(=O)(=O)(NCCCOC)c1ccc(OC)cc1

InChI:

InChI=1/C11H17NO4S/c1-15-9-3-8-12-17(13,14)11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.541 kcal/mol

Physical Properties
Molecular Weight: 259.326 g/mol	logS: -1.61765	SlogP: 1.01	Reactive groups: 0

Topological Properties
Globularity: 0.0686383	Sterimol/B1: 2.69958	Sterimol/B2: 3.19146	Sterimol/B3: 4.30386
Sterimol/B4: 7.40851	Sterimol/L: 15.286

Surface and Volume Properties
Accessible surface: 499.303	Positive charged surface: 357.238	Negative charged surface: 142.065	Volume: 238.875
Hydrophobic surface: 395.235	Hydrophilic surface: 104.068

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.