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MMsINC code: MMs02706279

Type: Neutral
Formula: C₁₆H₁₄N₂O₄S

SMILES:

S=C(Nc1ccc(cc1)C(O)=O)NC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C16H14N2O4S/c1-22-13-4-2-3-11(9-13)14(19)18-16(23)17-12-7-5-10(6-8-12)15(20)21/h2-9H,1H3,(H,20,21)(H2,17,18,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.689 kcal/mol

Physical Properties
Molecular Weight: 330.364 g/mol	logS: -4.83814	SlogP: 2.5202	Reactive groups: 0

Topological Properties
Globularity: 0.0119891	Sterimol/B1: 2.72955	Sterimol/B2: 2.76276	Sterimol/B3: 2.93923
Sterimol/B4: 5.14064	Sterimol/L: 19.529

Surface and Volume Properties
Accessible surface: 569.674	Positive charged surface: 330.008	Negative charged surface: 239.666	Volume: 290.75
Hydrophobic surface: 351.01	Hydrophilic surface: 218.664

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

MMs02706280
PUBCHEM-ZINC00570112