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MMsINC code: MMs00529062

Type: Neutral
Formula: C₁₉H₁₄N₂O₅S

SMILES:

S(=O)(=O)(N(C)c1ccccc1C(O)=O)c1c2c3c(ccc2)C(=O)Nc3cc1

InChI:

InChI=1/C19H14N2O5S/c1-21(15-8-3-2-5-11(15)19(23)24)27(25,26)16-10-9-14-17-12(16)6-4-7-13(17)18(22)20-14/h2-10H,1H3,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.205 kcal/mol

Physical Properties
Molecular Weight: 382.396 g/mol	logS: -5.29407	SlogP: 2.9288	Reactive groups: 0

Topological Properties
Globularity: 0.148351	Sterimol/B1: 2.56342	Sterimol/B2: 3.35237	Sterimol/B3: 4.77276
Sterimol/B4: 6.76194	Sterimol/L: 15.2203

Surface and Volume Properties
Accessible surface: 550.883	Positive charged surface: 305.049	Negative charged surface: 239.129	Volume: 321.375
Hydrophobic surface: 349.795	Hydrophilic surface: 201.088

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00529063
CHEMBLOCK-ZINC01926330