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MMsINC code: MMs02706193

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S=C(Nc1cccc(C(O)=O)c1C)NC(=O)c1cc(OC)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.024 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -4.99861	SlogP: 2.82862	Reactive groups: 0

Topological Properties
Globularity: 0.0206417	Sterimol/B1: 2.14146	Sterimol/B2: 2.53403	Sterimol/B3: 3.14122
Sterimol/B4: 6.63264	Sterimol/L: 19.5817

Surface and Volume Properties
Accessible surface: 574.908	Positive charged surface: 342.762	Negative charged surface: 232.146	Volume: 307.875
Hydrophobic surface: 381.622	Hydrophilic surface: 193.286

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

MMs02706194
PUBCHEM-ZINC00569962