MMsINC Database Search


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MMsINC code: MMs00051237

Type: Neutral
Formula: C₉H₈FN

SMILES:

Fc1cc2[nH]ccc2cc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.0929 kcal/mol

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

Topological Properties
Globularity: 0.0152024	Sterimol/B1: 2.1026	Sterimol/B2: 2.51211	Sterimol/B3: 3.36524
Sterimol/B4: 4.75446	Sterimol/L: 10.6562

Surface and Volume Properties
Accessible surface: 329.799	Positive charged surface: 175.153	Negative charged surface: 148.739	Volume: 145.25
Hydrophobic surface: 275.716	Hydrophilic surface: 54.083

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

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Ions/Tautomers related molecules: no related molecules available.