MMsINC Database Search


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MMsINC code: MMs00238242

Type: Neutral
Formula: C₁₇H₁₉FN₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1

InChI:

InChI=1/C17H19FN2O4S2/c18-15-8-6-14(7-9-15)13-19-25(21,22)16-4-3-5-17(12-16)26(23,24)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6377 kcal/mol

Physical Properties
Molecular Weight: 398.479 g/mol	logS: -3.75168	SlogP: 2.3551	Reactive groups: 0

Topological Properties
Globularity: 0.141961	Sterimol/B1: 2.41586	Sterimol/B2: 3.02201	Sterimol/B3: 5.91534
Sterimol/B4: 8.40724	Sterimol/L: 14.8657

Surface and Volume Properties
Accessible surface: 598.492	Positive charged surface: 309.339	Negative charged surface: 289.154	Volume: 337.25
Hydrophobic surface: 459.849	Hydrophilic surface: 138.643

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.