MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01315563

Type: Neutral
Formula: C₂₄H₁₉F₃N₂O₄

SMILES:

FC(F)(F)c1cc(Nc2ccccc2C(OCC(=O)Nc2cc(ccc2)C(=O)C)=O)ccc1

InChI:

InChI=1/C24H19F3N2O4/c1-15(30)16-6-4-8-18(12-16)29-22(31)14-33-23(32)20-10-2-3-11-21(20)28-19-9-5-7-17(13-19)24(25,26)27/h2-13,28H,14H2,1H3,(H,29,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.784 kcal/mol

Physical Properties
Molecular Weight: 456.42 g/mol	logS: -6.75218	SlogP: 5.7586	Reactive groups: 0

Topological Properties
Globularity: 0.0759918	Sterimol/B1: 3.00153	Sterimol/B2: 5.60126	Sterimol/B3: 5.84122
Sterimol/B4: 6.84991	Sterimol/L: 18.5469

Surface and Volume Properties
Accessible surface: 728.724	Positive charged surface: 372.562	Negative charged surface: 356.162	Volume: 398.625
Hydrophobic surface: 502.285	Hydrophilic surface: 226.439

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.