MMsINC Database Search


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MMsINC code: MMs00871263

Type: Neutral
Formula: C₁₁H₁₇NO₄S

SMILES:

S(=O)(=O)(NCCC)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C11H17NO4S/c1-4-7-12-17(13,14)9-5-6-10(15-2)11(8-9)16-3/h5-6,8,12H,4,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.2916 kcal/mol

Physical Properties
Molecular Weight: 259.326 g/mol	logS: -1.8526	SlogP: 1.3921	Reactive groups: 0

Topological Properties
Globularity: 0.157557	Sterimol/B1: 2.21665	Sterimol/B2: 5.05645	Sterimol/B3: 5.08441
Sterimol/B4: 6.00764	Sterimol/L: 14.0041

Surface and Volume Properties
Accessible surface: 484.474	Positive charged surface: 344.292	Negative charged surface: 140.182	Volume: 235.625
Hydrophobic surface: 360.292	Hydrophilic surface: 124.182

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.