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MMsINC code: MMs02173816

Type: Neutral
Formula: C₁₉H₂₁F₃N₂O₃

SMILES:

FC(F)(F)c1ccc(cc1)CNCC(O)COc1ccccc1NC(=O)C

InChI:

InChI=1/C19H21F3N2O3/c1-13(25)24-17-4-2-3-5-18(17)27-12-16(26)11-23-10-14-6-8-15(9-7-14)19(20,21)22/h2-9,16,23,26H,10-12H2,1H3,(H,24,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.421 kcal/mol

Physical Properties
Molecular Weight: 382.382 g/mol	logS: -4.03356	SlogP: 3.7712	Reactive groups: 0

Topological Properties
Globularity: 0.033057	Sterimol/B1: 2.00486	Sterimol/B2: 3.55455	Sterimol/B3: 3.72248
Sterimol/B4: 9.0057	Sterimol/L: 19.7757

Surface and Volume Properties
Accessible surface: 665.685	Positive charged surface: 369.631	Negative charged surface: 296.053	Volume: 342.125
Hydrophobic surface: 449.889	Hydrophilic surface: 215.796

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02173817
MAYBRIDGE-ZINC04389931