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MMsINC code: MMs00746842

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S

SMILES:

S=C(Nc1ccccc1C(OC)=O)NC(=O)c1ccc(OCCC)cc1

InChI:

InChI=1/C19H20N2O4S/c1-3-12-25-14-10-8-13(9-11-14)17(22)21-19(26)20-16-7-5-4-6-15(16)18(23)24-2/h4-11H,3,12H2,1-2H3,(H2,20,21,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.433 kcal/mol

Physical Properties
Molecular Weight: 372.445 g/mol	logS: -5.77945	SlogP: 3.3888	Reactive groups: 0

Topological Properties
Globularity: 0.0213727	Sterimol/B1: 2.53158	Sterimol/B2: 3.81786	Sterimol/B3: 4.44429
Sterimol/B4: 6.89704	Sterimol/L: 20.1629

Surface and Volume Properties
Accessible surface: 666.22	Positive charged surface: 422.569	Negative charged surface: 243.651	Volume: 347
Hydrophobic surface: 506.213	Hydrophilic surface: 160.007

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.