MMsINC Database Search


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

MMsINC code: MMs00347913

Type: Neutral
Formula: C₁₉H₁₆N₂O₃S

SMILES:

s1cccc1C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1OC

InChI:

InChI=1/C19H16N2O3S/c1-24-16-6-3-2-5-15(16)21-18(22)13-8-10-14(11-9-13)20-19(23)17-7-4-12-25-17/h2-12H,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.193 kcal/mol

Physical Properties
Molecular Weight: 352.414 g/mol	logS: -5.18191	SlogP: 4.2613	Reactive groups: 0

Topological Properties
Globularity: 0.0160493	Sterimol/B1: 2.47026	Sterimol/B2: 2.48878	Sterimol/B3: 3.83092
Sterimol/B4: 7.35142	Sterimol/L: 19.9259

Surface and Volume Properties
Accessible surface: 614.103	Positive charged surface: 336.322	Negative charged surface: 277.781	Volume: 323.875
Hydrophobic surface: 536.181	Hydrophilic surface: 77.922

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.