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MMsINC code: MMs01393717

Type: Neutral
Formula: C₂₁H₂₃F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)CN(CC(=O)NC(Cc1ccccc1)C(=O)C)C

InChI:

InChI=1/C21H23F3N2O2/c1-15(27)19(12-16-6-4-3-5-7-16)25-20(28)14-26(2)13-17-8-10-18(11-9-17)21(22,23)24/h3-11,19H,12-14H2,1-2H3,(H,25,28)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.031 kcal/mol

Physical Properties
Molecular Weight: 392.421 g/mol	logS: -4.65353	SlogP: 4.03157	Reactive groups: 0

Topological Properties
Globularity: 0.0867163	Sterimol/B1: 2.39208	Sterimol/B2: 2.78052	Sterimol/B3: 5.22403
Sterimol/B4: 9.64831	Sterimol/L: 16.7904

Surface and Volume Properties
Accessible surface: 664.786	Positive charged surface: 356.639	Negative charged surface: 308.148	Volume: 364.875
Hydrophobic surface: 497.773	Hydrophilic surface: 167.013

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01393718
ENAMINE-ZINC03357496