MMsINC Database Search


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

MMsINC code: MMs02163896

Type: Neutral
Formula: C₁₄H₁₂F₃N₃

SMILES:

FC(F)(F)c1cc(N=Nc2cc(C)c(N)cc2)ccc1

InChI:

InChI=1/C14H12F3N3/c1-9-7-12(5-6-13(9)18)20-19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,18H2,1H3/b20-19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8915 kcal/mol

Physical Properties
Molecular Weight: 279.265 g/mol	logS: -4.21558	SlogP: 5.32292	Reactive groups: 0

Topological Properties
Globularity: 0.00765833	Sterimol/B1: 2.63815	Sterimol/B2: 2.63819	Sterimol/B3: 3.04797
Sterimol/B4: 5.79278	Sterimol/L: 15.7429

Surface and Volume Properties
Accessible surface: 500.204	Positive charged surface: 233.56	Negative charged surface: 266.644	Volume: 242.75
Hydrophobic surface: 345.11	Hydrophilic surface: 155.094

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.