MMsINC Database Search


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

MMsINC code: MMs00197490

Type: Neutral
Formula: C₁₉H₁₆N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C19H16N2O3S/c22-19(15-7-3-1-4-8-15)20-16-11-13-17(14-12-16)21-25(23,24)18-9-5-2-6-10-18/h1-14,21H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6633 kcal/mol

Physical Properties
Molecular Weight: 352.414 g/mol	logS: -5.01671	SlogP: 3.7397	Reactive groups: 0

Topological Properties
Globularity: 0.0825397	Sterimol/B1: 3.8533	Sterimol/B2: 4.1654	Sterimol/B3: 4.20182
Sterimol/B4: 5.21217	Sterimol/L: 17.0549

Surface and Volume Properties
Accessible surface: 590.747	Positive charged surface: 302.629	Negative charged surface: 288.118	Volume: 321.5
Hydrophobic surface: 471.646	Hydrophilic surface: 119.101

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.