MMsINC Database Search


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MMsINC code: MMs01362961

Type: Neutral
Formula: C₂₃H₂₀F₃NO

SMILES:

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

InChI:

InChI=1/C23H20F3NO/c24-23(25,26)20-13-7-8-17(14-20)16-27-22(28)15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21H,15-16H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5502 kcal/mol

Physical Properties
Molecular Weight: 383.413 g/mol	logS: -5.94131	SlogP: 6.1217	Reactive groups: 0

Topological Properties
Globularity: 0.121864	Sterimol/B1: 2.53776	Sterimol/B2: 4.06514	Sterimol/B3: 4.36929
Sterimol/B4: 8.43136	Sterimol/L: 16.811

Surface and Volume Properties
Accessible surface: 655.939	Positive charged surface: 332.04	Negative charged surface: 323.899	Volume: 357.75
Hydrophobic surface: 513.545	Hydrophilic surface: 142.394

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.