MMsINC Database Search


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MMsINC code: MMs02521685

Type: Neutral
Formula: C₁₁H₁₇NO₄S

SMILES:

S(=O)(=O)(NC(COC)C)c1ccc(OC)cc1

InChI:

InChI=1/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.183 kcal/mol

Physical Properties
Molecular Weight: 259.326 g/mol	logS: -1.74309	SlogP: 1.0084	Reactive groups: 0

Topological Properties
Globularity: 0.168806	Sterimol/B1: 2.41163	Sterimol/B2: 3.62235	Sterimol/B3: 5.3314
Sterimol/B4: 5.78308	Sterimol/L: 14.2892

Surface and Volume Properties
Accessible surface: 480.669	Positive charged surface: 341.848	Negative charged surface: 138.82	Volume: 237.375
Hydrophobic surface: 375.247	Hydrophilic surface: 105.422

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.