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MMsINC code: MMs02838705

Type: Neutral
Formula: C₂₁H₂₄F₃NO₂

SMILES:

FC(F)(F)c1cc(ccc1)CC(NCCOC(=O)CCc1ccccc1)C

InChI:

InChI=1/C21H24F3NO2/c1-16(14-18-8-5-9-19(15-18)21(22,23)24)25-12-13-27-20(26)11-10-17-6-3-2-4-7-17/h2-9,15-16,25H,10-14H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3654 kcal/mol

Physical Properties
Molecular Weight: 379.422 g/mol	logS: -4.69007	SlogP: 4.71344	Reactive groups: 1

Topological Properties
Globularity: 0.0770146	Sterimol/B1: 2.13252	Sterimol/B2: 3.02931	Sterimol/B3: 5.42577
Sterimol/B4: 9.27672	Sterimol/L: 19.0204

Surface and Volume Properties
Accessible surface: 674.384	Positive charged surface: 374.296	Negative charged surface: 300.089	Volume: 360.125
Hydrophobic surface: 519.148	Hydrophilic surface: 155.236

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

MMs02838706
PUBCHEM-ZINC01995446