MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00181826

Type: Neutral
Formula: C₁₉H₁₆N₂O₅S

SMILES:

S(=O)(=O)(Nc1ccccc1O)c1cc(ccc1)C(=O)Nc1ccccc1O

InChI:

InChI=1/C19H16N2O5S/c22-17-10-3-1-8-15(17)20-19(24)13-6-5-7-14(12-13)27(25,26)21-16-9-2-4-11-18(16)23/h1-12,21-23H,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8598 kcal/mol

Physical Properties
Molecular Weight: 384.412 g/mol	logS: -4.29281	SlogP: 3.1509	Reactive groups: 0

Topological Properties
Globularity: 0.142872	Sterimol/B1: 3.13743	Sterimol/B2: 4.5634	Sterimol/B3: 5.45558
Sterimol/B4: 6.8169	Sterimol/L: 15.025

Surface and Volume Properties
Accessible surface: 594.741	Positive charged surface: 319.942	Negative charged surface: 274.799	Volume: 332.75
Hydrophobic surface: 399.397	Hydrophilic surface: 195.344

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.