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MMsINC code: MMs00869542

Type: Neutral
Formula: C₁₅H₁₃N₃O₅S

SMILES:

S(=O)(=O)(N(C)c1ccccc1C(O)=O)c1cc2NC(=O)Nc2cc1

InChI:

InChI=1/C15H13N3O5S/c1-18(13-5-3-2-4-10(13)14(19)20)24(22,23)9-6-7-11-12(8-9)17-15(21)16-11/h2-8H,1H3,(H,19,20)(H2,16,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2713 kcal/mol

Physical Properties
Molecular Weight: 347.351 g/mol	logS: -3.31337	SlogP: 2.1673	Reactive groups: 0

Topological Properties
Globularity: 0.0910179	Sterimol/B1: 2.12048	Sterimol/B2: 2.65215	Sterimol/B3: 5.4116
Sterimol/B4: 6.64757	Sterimol/L: 15.3756

Surface and Volume Properties
Accessible surface: 524.136	Positive charged surface: 309.381	Negative charged surface: 214.755	Volume: 287
Hydrophobic surface: 287.687	Hydrophilic surface: 236.449

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00869543
CHEMDIV-ZINC01926301