MMsINC Database Search


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

MMsINC code: MMs00055669

Type: Neutral
Formula: C₆H₃F₄N

SMILES:

Fc1nc(ccc1)C(F)(F)F

InChI:

InChI=1/C6H3F4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0745 kcal/mol

Physical Properties
Molecular Weight: 165.089 g/mol	logS: -1.94245	SlogP: 2.551	Reactive groups: 0

Topological Properties
Globularity: 0.0504317	Sterimol/B1: 2.15473	Sterimol/B2: 2.44188	Sterimol/B3: 2.81619
Sterimol/B4: 5.04082	Sterimol/L: 8.81885

Surface and Volume Properties
Accessible surface: 292.052	Positive charged surface: 86.5536	Negative charged surface: 205.498	Volume: 117.25
Hydrophobic surface: 156.265	Hydrophilic surface: 135.787

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.