MMsINC Database Search


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MMsINC code: MMs01616186

Type: Neutral
Formula: C₂₂H₁₈F₃NO

SMILES:

FC(F)(F)c1cc(ccc1)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H18F3NO/c23-22(24,25)19-13-7-8-16(14-19)15-20(27)26-21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21H,15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3071 kcal/mol

Physical Properties
Molecular Weight: 369.386 g/mol	logS: -6.18483	SlogP: 5.56067	Reactive groups: 0

Topological Properties
Globularity: 0.10967	Sterimol/B1: 2.55374	Sterimol/B2: 3.84489	Sterimol/B3: 3.90542
Sterimol/B4: 8.59047	Sterimol/L: 16.4837

Surface and Volume Properties
Accessible surface: 632.532	Positive charged surface: 295.755	Negative charged surface: 336.777	Volume: 341
Hydrophobic surface: 501.595	Hydrophilic surface: 130.937

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.