MMsINC Database Search


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

MMsINC code: MMs00048639

Type: Neutral
Formula: C₁₄H₁₀F₆N₂

SMILES:

FC(F)(F)c1cc(N)ccc1-c1ccc(N)cc1C(F)(F)F

InChI:

InChI=1/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3885 kcal/mol

Physical Properties
Molecular Weight: 320.236 g/mol	logS: -5.36612	SlogP: 5.1786	Reactive groups: 0

Topological Properties
Globularity: 0.135846	Sterimol/B1: 2.10008	Sterimol/B2: 3.26968	Sterimol/B3: 4.61571
Sterimol/B4: 5.38602	Sterimol/L: 13.7016

Surface and Volume Properties
Accessible surface: 454.726	Positive charged surface: 213.308	Negative charged surface: 240.863	Volume: 243.875
Hydrophobic surface: 181.623	Hydrophilic surface: 273.103

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.