MMsINC Database Search


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

MMsINC code: MMs00019800

Type: Neutral
Formula: C₁₀H₈FN

SMILES:

Fc1ccc(-n2cccc2)cc1

InChI:

InChI=1/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6296 kcal/mol

Physical Properties
Molecular Weight: 161.179 g/mol	logS: -1.84095	SlogP: 2.6164	Reactive groups: 0

Topological Properties
Globularity: 9.23494e-07	Sterimol/B1: 2.09981	Sterimol/B2: 2.09985	Sterimol/B3: 2.91743
Sterimol/B4: 4.32697	Sterimol/L: 11.4564

Surface and Volume Properties
Accessible surface: 343.221	Positive charged surface: 144.535	Negative charged surface: 198.686	Volume: 156.625
Hydrophobic surface: 305.977	Hydrophilic surface: 37.244

Pharmacophoric Properties
Hydrogen bond donors: 0	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.