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MMsINC code: MMs00439390

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2oc3c(cc(cc3)C)c2C)cc1

InChI:

InChI=1/C17H16N2O4S/c1-10-3-8-15-14(9-10)11(2)16(23-15)17(20)19-12-4-6-13(7-5-12)24(18,21)22/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6362 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -5.81412	SlogP: 2.94934	Reactive groups: 0

Topological Properties
Globularity: 0.0205042	Sterimol/B1: 2.89508	Sterimol/B2: 3.32559	Sterimol/B3: 4.3388
Sterimol/B4: 4.70141	Sterimol/L: 19.0802

Surface and Volume Properties
Accessible surface: 583.987	Positive charged surface: 322.96	Negative charged surface: 255.975	Volume: 302
Hydrophobic surface: 406.744	Hydrophilic surface: 177.243

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00439391
ASINEX-ZINC05032605