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MMsINC code: MMs03159476

Type: Neutral
Formula: C₁₉H₁₃NO₅S

SMILES:

S1\C(=C\c2ccc(cc2)C(O)=O)\C(=O)N(CC(=O)c2ccccc2)C1=O

InChI:

InChI=1/C19H13NO5S/c21-15(13-4-2-1-3-5-13)11-20-17(22)16(26-19(20)25)10-12-6-8-14(9-7-12)18(23)24/h1-10H,11H2,(H,23,24)/b16-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2012 kcal/mol

Physical Properties
Molecular Weight: 367.381 g/mol	logS: -5.05332	SlogP: 3.304	Reactive groups: 0

Topological Properties
Globularity: 0.032472	Sterimol/B1: 3.42094	Sterimol/B2: 3.46699	Sterimol/B3: 3.96666
Sterimol/B4: 4.64835	Sterimol/L: 20.1561

Surface and Volume Properties
Accessible surface: 595.378	Positive charged surface: 283.31	Negative charged surface: 312.068	Volume: 319.5
Hydrophobic surface: 363.547	Hydrophilic surface: 231.831

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03159477
PUBCHEM-ZINC04699505