MMsINC Database Search


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

MMsINC code: MMs00268496

Type: Neutral
Formula: C₁₁H₇F₇N₂O₂

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C11H7F7N2O2/c12-9(13,10(14,15)11(16,17)18)8(22)20-6-4-2-1-3-5(6)7(19)21/h1-4H,(H2,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7275 kcal/mol

Physical Properties
Molecular Weight: 332.175 g/mol	logS: -4.32876	SlogP: 3.8166	Reactive groups: 1

Topological Properties
Globularity: 0.0323761	Sterimol/B1: 2.75121	Sterimol/B2: 2.75128	Sterimol/B3: 3.29371
Sterimol/B4: 6.50311	Sterimol/L: 13.5533

Surface and Volume Properties
Accessible surface: 459.599	Positive charged surface: 156.17	Negative charged surface: 303.429	Volume: 222.75
Hydrophobic surface: 145.964	Hydrophilic surface: 313.635

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