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MMsINC code: MMs00048967

Type: Neutral
Formula: C₂₀H₂₃F₃N₂O

SMILES:

FC(F)(F)C(O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H23F3N2O/c21-20(22,23)18(26)15-24-11-13-25(14-12-24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.703 kcal/mol

Physical Properties
Molecular Weight: 364.411 g/mol	logS: -3.95141	SlogP: 3.8322	Reactive groups: 0

Topological Properties
Globularity: 0.121343	Sterimol/B1: 2.29734	Sterimol/B2: 3.43531	Sterimol/B3: 4.29245
Sterimol/B4: 9.3489	Sterimol/L: 14.8137

Surface and Volume Properties
Accessible surface: 600.198	Positive charged surface: 345.186	Negative charged surface: 255.012	Volume: 340.25
Hydrophobic surface: 456.631	Hydrophilic surface: 143.567

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

MMs00048968
APOLLO-ZINC01025882