MMsINC Database Search


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MMsINC code: MMs00221924

Type: Neutral
Formula: C₁₇H₁₉FN₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7939 kcal/mol

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

Topological Properties
Globularity: 0.0623278	Sterimol/B1: 3.23698	Sterimol/B2: 3.69714	Sterimol/B3: 4.21353
Sterimol/B4: 6.0318	Sterimol/L: 19.0803

Surface and Volume Properties
Accessible surface: 620.821	Positive charged surface: 336.073	Negative charged surface: 284.748	Volume: 334.5
Hydrophobic surface: 477.213	Hydrophilic surface: 143.608

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.