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MMsINC code: MMs02705511

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S=C(Nc1cccc(C(O)=O)c1C)NC(=O)c1ccccc1OC

InChI:

InChI=1/C17H16N2O4S/c1-10-11(16(21)22)7-5-8-13(10)18-17(24)19-15(20)12-6-3-4-9-14(12)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)=156.28 kcal/mol

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

Topological Properties
Globularity: 0.0301273	Sterimol/B1: 2.65481	Sterimol/B2: 3.03199	Sterimol/B3: 3.73558
Sterimol/B4: 6.64901	Sterimol/L: 17.5218

Surface and Volume Properties
Accessible surface: 572.671	Positive charged surface: 347.839	Negative charged surface: 224.832	Volume: 306.75
Hydrophobic surface: 391.076	Hydrophilic surface: 181.595

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

MMs02705512
PUBCHEM-ZINC00568675