MMsINC Database Search


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

MMsINC code: MMs01618250

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)Nc1cc(ccc1F)C

InChI:

InChI=1/C16H17FN2O3S/c1-11-4-9-14(17)15(10-11)18-16(20)12-5-7-13(8-6-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7646 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -4.03733	SlogP: 2.63672	Reactive groups: 0

Topological Properties
Globularity: 0.0431131	Sterimol/B1: 2.2902	Sterimol/B2: 3.23085	Sterimol/B3: 4.51575
Sterimol/B4: 6.46188	Sterimol/L: 16.8029

Surface and Volume Properties
Accessible surface: 563.266	Positive charged surface: 334.382	Negative charged surface: 228.884	Volume: 297.75
Hydrophobic surface: 472.252	Hydrophilic surface: 91.014

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.