MMsINC Database Search


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MMsINC code: MMs01494499

Type: Neutral
Formula: C₁₆H₁₈F₂N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)N(CC)CC)cc1)c1c(F)cccc1F

InChI:

InChI=1/C16H18F2N2O4S2/c1-3-20(4-2)26(23,24)13-10-8-12(9-11-13)19-25(21,22)16-14(17)6-5-7-15(16)18/h5-11,19H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.4228 kcal/mol

Physical Properties
Molecular Weight: 404.458 g/mol	logS: -4.20466	SlogP: 2.7961	Reactive groups: 0

Topological Properties
Globularity: 0.112858	Sterimol/B1: 2.35069	Sterimol/B2: 3.72787	Sterimol/B3: 4.48165
Sterimol/B4: 6.51679	Sterimol/L: 15.562

Surface and Volume Properties
Accessible surface: 581.164	Positive charged surface: 304.382	Negative charged surface: 276.782	Volume: 330.5
Hydrophobic surface: 409.53	Hydrophilic surface: 171.634

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.