MMsINC Database Search


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

MMsINC code: MMs00054770

Type: Neutral
Formula: C₈H₅F₂N

SMILES:

Fc1cc2c([nH]cc2)cc1F

InChI:

InChI=1/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.8259 kcal/mol

Physical Properties
Molecular Weight: 153.131 g/mol	logS: -2.26474	SlogP: 2.4461	Reactive groups: 0

Topological Properties
Globularity: 2.51152e-07	Sterimol/B1: 2.09735	Sterimol/B2: 2.09743	Sterimol/B3: 2.88167
Sterimol/B4: 5.03709	Sterimol/L: 9.78394

Surface and Volume Properties
Accessible surface: 307.756	Positive charged surface: 135.976	Negative charged surface: 166.767	Volume: 130.375
Hydrophobic surface: 253.102	Hydrophilic surface: 54.654

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.