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MMsINC code: MMs03041438

Type: Neutral
Formula: C₁₉H₁₈F₄N₂

SMILES:

Fc1cc2c([nH]c(-c3ccccc3C(F)(F)F)c2CCCCN)cc1

InChI:

InChI=1/C19H18F4N2/c20-12-8-9-17-15(11-12)13(5-3-4-10-24)18(25-17)14-6-1-2-7-16(14)19(21,22)23/h1-2,6-9,11,25H,3-5,10,24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7782 kcal/mol

Physical Properties
Molecular Weight: 350.359 g/mol	logS: -5.55142	SlogP: 5.58567	Reactive groups: 0

Topological Properties
Globularity: 0.137952	Sterimol/B1: 2.17505	Sterimol/B2: 3.47367	Sterimol/B3: 5.10225
Sterimol/B4: 9.79716	Sterimol/L: 13.6881

Surface and Volume Properties
Accessible surface: 566.215	Positive charged surface: 310.69	Negative charged surface: 252.62	Volume: 313.375
Hydrophobic surface: 403.35	Hydrophilic surface: 162.865

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

MMs03041439
PUBCHEM-ZINC03686082