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MMsINC code: MMs00248693

Type: Neutral
Formula: C₂₀H₂₆F₃N₃O₂

SMILES:

FC(F)(F)C(=O)N(C(C(=O)NC1CCCCC1)c1ccncc1)C1CCCC1

InChI:

InChI=1/C20H26F3N3O2/c21-20(22,23)19(28)26(16-8-4-5-9-16)17(14-10-12-24-13-11-14)18(27)25-15-6-2-1-3-7-15/h10-13,15-17H,1-9H2,(H,25,27)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.417 kcal/mol

Physical Properties
Molecular Weight: 397.441 g/mol	logS: -3.8495	SlogP: 4.4205	Reactive groups: 0

Topological Properties
Globularity: 0.215472	Sterimol/B1: 3.55007	Sterimol/B2: 4.97119	Sterimol/B3: 5.13266
Sterimol/B4: 8.46033	Sterimol/L: 14.9424

Surface and Volume Properties
Accessible surface: 611.379	Positive charged surface: 421.124	Negative charged surface: 190.255	Volume: 360.75
Hydrophobic surface: 479.749	Hydrophilic surface: 131.63

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: no related molecules available.