MMsINC Database Search


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

MMsINC code: MMs02580264

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)NCCOC)c1cc(ccc1C)C

InChI:

InChI=1/C19H24N2O4S/c1-14-4-5-15(2)18(12-14)26(23,24)21-13-16-6-8-17(9-7-16)19(22)20-10-11-25-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4754 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.91392	SlogP: 2.42454	Reactive groups: 0

Topological Properties
Globularity: 0.0543541	Sterimol/B1: 2.25564	Sterimol/B2: 2.91215	Sterimol/B3: 5.80796
Sterimol/B4: 6.49684	Sterimol/L: 20.217

Surface and Volume Properties
Accessible surface: 665.383	Positive charged surface: 424.521	Negative charged surface: 240.861	Volume: 357.25
Hydrophobic surface: 544.279	Hydrophilic surface: 121.104

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.