MMsINC Database Search


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

MMsINC code: MMs01238530

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cccc(C)c1C)C)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(3)24(22,23)15-9-7-14(18)8-10-15/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)=78.7159 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -4.22424	SlogP: 2.70174	Reactive groups: 0

Topological Properties
Globularity: 0.0827353	Sterimol/B1: 3.2034	Sterimol/B2: 4.33812	Sterimol/B3: 5.42857
Sterimol/B4: 5.53704	Sterimol/L: 14.264

Surface and Volume Properties
Accessible surface: 548.664	Positive charged surface: 315.844	Negative charged surface: 232.821	Volume: 316.375
Hydrophobic surface: 465.091	Hydrophilic surface: 83.573

Pharmacophoric Properties
Hydrogen bond donors: 1	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.