MMsINC Database Search


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

MMsINC code: MMs01205674

Type: Neutral
Formula: C₂₀H₂₅F₃N₂O₃

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)N1C(COC12CCCCC2)C(=O)N(CC)C

InChI:

InChI=1/C20H25F3N2O3/c1-3-24(2)18(27)16-13-28-19(10-5-4-6-11-19)25(16)17(26)14-8-7-9-15(12-14)20(21,22)23/h7-9,12,16H,3-6,10-11,13H2,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=311.514 kcal/mol

Physical Properties
Molecular Weight: 398.425 g/mol	logS: -4.69394	SlogP: 3.9966	Reactive groups: 0

Topological Properties
Globularity: 0.169981	Sterimol/B1: 2.25819	Sterimol/B2: 2.96621	Sterimol/B3: 5.39853
Sterimol/B4: 9.31704	Sterimol/L: 12.9881

Surface and Volume Properties
Accessible surface: 571.51	Positive charged surface: 347.078	Negative charged surface: 224.433	Volume: 344.75
Hydrophobic surface: 421.388	Hydrophilic surface: 150.122

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.