MMsINC Database Search


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MMsINC code: MMs01695293

Type: Neutral
Formula: C₂₂H₂₃F₃N₂O₂

SMILES:

FC(F)(F)c1cc(NC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)ccc1

InChI:

InChI=1/C22H23F3N2O2/c1-27(17-10-3-2-4-11-17)21(29)19-13-6-5-12-18(19)20(28)26-16-9-7-8-15(14-16)22(23,24)25/h5-9,12-14,17H,2-4,10-11H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.767 kcal/mol

Physical Properties
Molecular Weight: 404.432 g/mol	logS: -5.9227	SlogP: 5.6739	Reactive groups: 0

Topological Properties
Globularity: 0.0469668	Sterimol/B1: 2.22167	Sterimol/B2: 4.84518	Sterimol/B3: 5.85515
Sterimol/B4: 6.44173	Sterimol/L: 17.1091

Surface and Volume Properties
Accessible surface: 635.12	Positive charged surface: 353.736	Negative charged surface: 281.384	Volume: 369.125
Hydrophobic surface: 485.677	Hydrophilic surface: 149.443

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