MMsINC Database Search


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

MMsINC code: MMs02716197

Type: Neutral
Formula: C₁₈H₁₅FN₂O₄S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(=O)NCc1occc1)c1cc(F)ccc1

InChI:

InChI=1/C18H15FN2O4S/c19-14-3-1-5-17(11-14)26(23,24)21-15-8-6-13(7-9-15)18(22)20-12-16-4-2-10-25-16/h1-11,21H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5643 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.0073	SlogP: 3.4159	Reactive groups: 0

Topological Properties
Globularity: 0.087806	Sterimol/B1: 3.55735	Sterimol/B2: 4.07911	Sterimol/B3: 4.11682
Sterimol/B4: 5.81738	Sterimol/L: 17.6767

Surface and Volume Properties
Accessible surface: 602.005	Positive charged surface: 292.855	Negative charged surface: 309.149	Volume: 323.5
Hydrophobic surface: 454.818	Hydrophilic surface: 147.187

Pharmacophoric Properties
Hydrogen bond donors: 2	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.