MMsINC Database Search


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

MMsINC code: MMs01456484

Type: Neutral
Formula: C₁₆H₁₄F₄N₂O

SMILES:

Fc1c(F)c(F)ccc1NC(=O)CN(Cc1cc(F)ccc1)C

InChI:

InChI=1/C16H14F4N2O/c1-22(8-10-3-2-4-11(17)7-10)9-14(23)21-13-6-5-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.046 kcal/mol

Physical Properties
Molecular Weight: 326.293 g/mol	logS: -4.43268	SlogP: 3.5799	Reactive groups: 0

Topological Properties
Globularity: 0.067648	Sterimol/B1: 2.27781	Sterimol/B2: 3.22779	Sterimol/B3: 4.96802
Sterimol/B4: 4.97865	Sterimol/L: 16.6621

Surface and Volume Properties
Accessible surface: 538.429	Positive charged surface: 293.938	Negative charged surface: 244.491	Volume: 275.75
Hydrophobic surface: 496.749	Hydrophilic surface: 41.68

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

search links for this molecule:

Ions/Tautomers related molecules

MMs01456485
ENAMINE-ZINC03459744