MMsINC Database Search


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

MMsINC code: MMs01239241

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C17H17FN2O4S/c18-14-4-2-5-15(12-14)19-17(21)13-3-1-6-16(11-13)25(22,23)20-7-9-24-10-8-20/h1-6,11-12H,7-10H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9997 kcal/mol

Physical Properties
Molecular Weight: 364.397 g/mol	logS: -3.85489	SlogP: 2.0989	Reactive groups: 0

Topological Properties
Globularity: 0.0345327	Sterimol/B1: 2.45416	Sterimol/B2: 2.80586	Sterimol/B3: 4.60092
Sterimol/B4: 8.00162	Sterimol/L: 17.3653

Surface and Volume Properties
Accessible surface: 579.835	Positive charged surface: 334.867	Negative charged surface: 244.968	Volume: 313.375
Hydrophobic surface: 475.302	Hydrophilic surface: 104.533

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.