MMsINC Database Search


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MMsINC code: MMs00164516

Type: Neutral
Formula: C₁₆H₁₇FN₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C16H17FN2O4S2/c17-13-3-7-15(8-4-13)24(20,21)18-14-5-9-16(10-6-14)25(22,23)19-11-1-2-12-19/h3-10,18H,1-2,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0353 kcal/mol

Physical Properties
Molecular Weight: 384.452 g/mol	logS: -3.80764	SlogP: 2.411	Reactive groups: 0

Topological Properties
Globularity: 0.101404	Sterimol/B1: 2.43684	Sterimol/B2: 4.07859	Sterimol/B3: 5.25746
Sterimol/B4: 5.34951	Sterimol/L: 15.9556

Surface and Volume Properties
Accessible surface: 580.159	Positive charged surface: 316.989	Negative charged surface: 263.17	Volume: 316.25
Hydrophobic surface: 441.49	Hydrophilic surface: 138.669

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.