MMsINC Database Search


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MMsINC code: MMs01503914

Type: Neutral
Formula: C₁₆H₂₃FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NC(CC)(C)C)c(F)cc1

InChI:

InChI=1/C16H23FN2O4S/c1-4-16(2,3)18-15(20)13-11-12(5-6-14(13)17)24(21,22)19-7-9-23-10-8-19/h5-6,11H,4,7-10H2,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0045 kcal/mol

Physical Properties
Molecular Weight: 358.434 g/mol	logS: -3.21443	SlogP: 1.765	Reactive groups: 0

Topological Properties
Globularity: 0.0639327	Sterimol/B1: 2.96489	Sterimol/B2: 3.78964	Sterimol/B3: 3.81919
Sterimol/B4: 8.27482	Sterimol/L: 15.607

Surface and Volume Properties
Accessible surface: 583.388	Positive charged surface: 380.643	Negative charged surface: 202.746	Volume: 321.25
Hydrophobic surface: 440.238	Hydrophilic surface: 143.15

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

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Ions/Tautomers related molecules: no related molecules available.