MMsINC Database Search


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

MMsINC code: MMs02777539

Type: Neutral
Formula: C₁₇H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(F)ccc1)c1cc(ccc1OC)C)C

InChI:

InChI=1/C17H19FN2O4S/c1-12-7-8-16(24-2)15(9-12)20(25(3,22)23)11-17(21)19-14-6-4-5-13(18)10-14/h4-10H,11H2,1-3H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.371 kcal/mol

Physical Properties
Molecular Weight: 366.413 g/mol	logS: -4.11415	SlogP: 2.54742	Reactive groups: 0

Topological Properties
Globularity: 0.193791	Sterimol/B1: 2.50942	Sterimol/B2: 3.56615	Sterimol/B3: 6.26483
Sterimol/B4: 6.74303	Sterimol/L: 15.2544

Surface and Volume Properties
Accessible surface: 590.166	Positive charged surface: 355.058	Negative charged surface: 235.108	Volume: 326.75
Hydrophobic surface: 508.584	Hydrophilic surface: 81.582

Pharmacophoric Properties
Hydrogen bond donors: 1	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.