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MMsINC code: MMs01714172

Type: Neutral
Formula: C₁₉H₂₀F₃N₃O

SMILES:

FC(F)(F)c1cc(Nc2ncccc2C(=O)NC2CCCCC2)ccc1

InChI:

InChI=1/C19H20F3N3O/c20-19(21,22)13-6-4-9-15(12-13)24-17-16(10-5-11-23-17)18(26)25-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8H2,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1167 kcal/mol

Physical Properties
Molecular Weight: 363.383 g/mol	logS: -4.73214	SlogP: 5.218	Reactive groups: 0

Topological Properties
Globularity: 0.0483322	Sterimol/B1: 2.69255	Sterimol/B2: 4.27909	Sterimol/B3: 5.90429
Sterimol/B4: 6.03406	Sterimol/L: 16.6032

Surface and Volume Properties
Accessible surface: 600.583	Positive charged surface: 354.168	Negative charged surface: 246.415	Volume: 325.875
Hydrophobic surface: 453.382	Hydrophilic surface: 147.201

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.