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MMsINC code: MMs02119913

Type: Neutral
Formula: C₂₀H₁₉F₃N₂O

SMILES:

FC(F)(F)C(=O)\C=C(\Nc1ccccc1-c1ccccc1)/C=C\N(C)C

InChI:

InChI=1/C20H19F3N2O/c1-25(2)13-12-16(14-19(26)20(21,22)23)24-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14,24H,1-2H3/b13-12+,16-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.695 kcal/mol

Physical Properties
Molecular Weight: 360.379 g/mol	logS: -5.76389	SlogP: 5.276	Reactive groups: 1

Topological Properties
Globularity: 0.321626	Sterimol/B1: 3.97715	Sterimol/B2: 4.21746	Sterimol/B3: 6.27892
Sterimol/B4: 7.49368	Sterimol/L: 14.1424

Surface and Volume Properties
Accessible surface: 602.673	Positive charged surface: 336.334	Negative charged surface: 264.006	Volume: 335
Hydrophobic surface: 470.735	Hydrophilic surface: 131.938

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.