MMsINC Database Search


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MMsINC code: MMs01510543

Type: Neutral
Formula: C₁₆H₁₉FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccccc1F)c1ccc(S(=O)(=O)N(CC)CC)cc1

InChI:

InChI=1/C16H19FN2O4S2/c1-3-19(4-2)25(22,23)14-11-9-13(10-12-14)24(20,21)18-16-8-6-5-7-15(16)17/h5-12,18H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8951 kcal/mol

Physical Properties
Molecular Weight: 386.468 g/mol	logS: -3.90968	SlogP: 2.657	Reactive groups: 0

Topological Properties
Globularity: 0.126709	Sterimol/B1: 2.71677	Sterimol/B2: 2.89869	Sterimol/B3: 6.06777
Sterimol/B4: 6.26175	Sterimol/L: 15.1497

Surface and Volume Properties
Accessible surface: 579.542	Positive charged surface: 301.872	Negative charged surface: 277.669	Volume: 326.875
Hydrophobic surface: 404.372	Hydrophilic surface: 175.17

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.