MMsINC Database Search


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

MMsINC code: MMs00051209

Type: Neutral
Formula: C₉H₈FN

SMILES:

Fc1c2c([nH]cc2)ccc1C

InChI:

InChI=1/C9H8FN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.0527 kcal/mol

Physical Properties
Molecular Weight: 149.168 g/mol	logS: -2.13023	SlogP: 2.61542	Reactive groups: 0

Topological Properties
Globularity: 0.015272	Sterimol/B1: 2.10337	Sterimol/B2: 2.51226	Sterimol/B3: 3.45434
Sterimol/B4: 4.69034	Sterimol/L: 10.6485

Surface and Volume Properties
Accessible surface: 331.133	Positive charged surface: 176.709	Negative charged surface: 148.516	Volume: 145.375
Hydrophobic surface: 276.678	Hydrophilic surface: 54.455

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.