MMsINC Database Search


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

MMsINC code: MMs00714821

Type: Neutral
Formula: C₁₆H₁₄F₄N₄O₂

SMILES:

FC(F)(C(F)(F)C(=O)NCc1ncccc1)C(=O)NCc1ncccc1

InChI:

InChI=1/C16H14F4N4O2/c17-15(18,13(25)23-9-11-5-1-3-7-21-11)16(19,20)14(26)24-10-12-6-2-4-8-22-12/h1-8H,9-10H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5958 kcal/mol

Physical Properties
Molecular Weight: 370.306 g/mol	logS: -2.66772	SlogP: 3.0524	Reactive groups: 1

Topological Properties
Globularity: 0.040163	Sterimol/B1: 2.53084	Sterimol/B2: 3.4586	Sterimol/B3: 3.58431
Sterimol/B4: 5.61732	Sterimol/L: 19.8156

Surface and Volume Properties
Accessible surface: 614.443	Positive charged surface: 341.22	Negative charged surface: 273.223	Volume: 302.5
Hydrophobic surface: 396.826	Hydrophilic surface: 217.617

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.