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MMsINC code: MMs02612483

Type: Neutral
Formula: C₂₀H₁₈F₃N₃O

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1-c1cn(nc1)C(C)C

InChI:

InChI=1/C20H18F3N3O/c1-13(2)26-12-15(11-24-26)17-5-3-4-6-18(17)25-19(27)14-7-9-16(10-8-14)20(21,22)23/h3-13H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.37 kcal/mol

Physical Properties
Molecular Weight: 373.378 g/mol	logS: -5.82227	SlogP: 5.8091	Reactive groups: 0

Topological Properties
Globularity: 0.0399769	Sterimol/B1: 2.31411	Sterimol/B2: 2.34124	Sterimol/B3: 4.37512
Sterimol/B4: 10.4008	Sterimol/L: 15.9021

Surface and Volume Properties
Accessible surface: 614.889	Positive charged surface: 310.833	Negative charged surface: 304.056	Volume: 336.75
Hydrophobic surface: 417.164	Hydrophilic surface: 197.725

Pharmacophoric Properties
Hydrogen bond donors: 1	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.