MMsINC Database Search


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MMsINC code: MMs01252385

Type: Neutral
Formula: C₁₆H₁₆FNO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1ccc(cc1)CC)c1ccc(F)cc1

InChI:

InChI=1/C16H16FNO3S/c1-2-12-3-7-14(8-4-12)18-16(19)11-22(20,21)15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.441 kcal/mol

Physical Properties
Molecular Weight: 321.372 g/mol	logS: -4.80612	SlogP: 2.80047	Reactive groups: 0

Topological Properties
Globularity: 0.034979	Sterimol/B1: 2.49121	Sterimol/B2: 3.11743	Sterimol/B3: 4.67656
Sterimol/B4: 4.68635	Sterimol/L: 19.1518

Surface and Volume Properties
Accessible surface: 558.215	Positive charged surface: 300.449	Negative charged surface: 257.766	Volume: 287.25
Hydrophobic surface: 440.835	Hydrophilic surface: 117.38

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

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Ions/Tautomers related molecules: no related molecules available.