MMsINC Database Search


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MMsINC code: MMs02760583

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₄S

SMILES:

S(=O)(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1ccc(OC)cc1

InChI:

InChI=1/C19H16F2N2O4S/c1-26-16-4-6-17(7-5-16)28(24,25)23-19-18(3-2-8-22-19)27-12-13-9-14(20)11-15(21)10-13/h2-11H,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4279 kcal/mol

Physical Properties
Molecular Weight: 406.409 g/mol	logS: -4.55846	SlogP: 4.0146	Reactive groups: 0

Topological Properties
Globularity: 0.103329	Sterimol/B1: 2.19999	Sterimol/B2: 4.40151	Sterimol/B3: 6.25273
Sterimol/B4: 6.73373	Sterimol/L: 17.639

Surface and Volume Properties
Accessible surface: 634.786	Positive charged surface: 354.094	Negative charged surface: 280.692	Volume: 340.625
Hydrophobic surface: 530.789	Hydrophilic surface: 103.997

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.