MMsINC Database Search


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MMsINC code: MMs00846224

Type: Neutral
Formula: C₁₆H₁₉NO₄S

SMILES:

S(=O)(=O)(NC(C)c1ccccc1)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C16H19NO4S/c1-12(13-7-5-4-6-8-13)17-22(18,19)14-9-10-15(20-2)16(11-14)21-3/h4-12,17H,1-3H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4345 kcal/mol

Physical Properties
Molecular Weight: 321.397 g/mol	logS: -3.41873	SlogP: 2.8388	Reactive groups: 0

Topological Properties
Globularity: 0.0929012	Sterimol/B1: 2.1548	Sterimol/B2: 3.99654	Sterimol/B3: 5.81249
Sterimol/B4: 5.83248	Sterimol/L: 16.4906

Surface and Volume Properties
Accessible surface: 547.773	Positive charged surface: 343.713	Negative charged surface: 204.06	Volume: 297
Hydrophobic surface: 441.156	Hydrophilic surface: 106.617

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.