MMsINC Database Search


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

MMsINC code: MMs00904229

Type: Neutral
Formula: C₁₇H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)NCCOC)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O4S/c1-24-11-10-19-17(21)14-4-2-13(3-5-14)12-20-25(22,23)16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.0808 kcal/mol

Physical Properties
Molecular Weight: 366.413 g/mol	logS: -3.57451	SlogP: 1.9468	Reactive groups: 0

Topological Properties
Globularity: 0.0372129	Sterimol/B1: 2.66402	Sterimol/B2: 3.53611	Sterimol/B3: 4.27141
Sterimol/B4: 6.47674	Sterimol/L: 19.9371

Surface and Volume Properties
Accessible surface: 633.88	Positive charged surface: 380.538	Negative charged surface: 253.342	Volume: 326
Hydrophobic surface: 500.657	Hydrophilic surface: 133.223

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.