MMsINC Database Search


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MMsINC code: MMs01373719

Type: Neutral
Formula: C₂₁H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H17F3N2O2/c22-21(23,24)17-11-12-19(28)26(13-17)14-18(27)25-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0393 kcal/mol

Physical Properties
Molecular Weight: 386.373 g/mol	logS: -5.3853	SlogP: 4.2522	Reactive groups: 0

Topological Properties
Globularity: 0.111356	Sterimol/B1: 2.91475	Sterimol/B2: 3.54888	Sterimol/B3: 4.21167
Sterimol/B4: 8.5919	Sterimol/L: 16.0245

Surface and Volume Properties
Accessible surface: 629.213	Positive charged surface: 283.033	Negative charged surface: 346.179	Volume: 342
Hydrophobic surface: 458.02	Hydrophilic surface: 171.193

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.