MMsINC Database Search


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MMsINC code: MMs01510559

Type: Neutral
Formula: C₁₆H₁₈F₂N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N(CC)CC)cc1

InChI:

InChI=1/C16H18F2N2O4S2/c1-3-20(4-2)26(23,24)14-8-6-13(7-9-14)25(21,22)19-16-10-5-12(17)11-15(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)=38.4149 kcal/mol

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

Topological Properties
Globularity: 0.127307	Sterimol/B1: 2.78768	Sterimol/B2: 2.84694	Sterimol/B3: 6.08836
Sterimol/B4: 6.29461	Sterimol/L: 15.1591

Surface and Volume Properties
Accessible surface: 581.362	Positive charged surface: 289.29	Negative charged surface: 292.072	Volume: 330.625
Hydrophobic surface: 411.733	Hydrophilic surface: 169.629

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.