MMsINC Database Search


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MMsINC code: MMs00006065

Type: Neutral
Formula: C₈H₆FN

SMILES:

Fc1cc2[nH]ccc2cc1

InChI:

InChI=1/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.9523 kcal/mol

Physical Properties
Molecular Weight: 135.141 g/mol	logS: -1.96976	SlogP: 2.307	Reactive groups: 0

Topological Properties
Globularity: 1.95452e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09943	Sterimol/B3: 2.56498
Sterimol/B4: 5.34822	Sterimol/L: 9.80886

Surface and Volume Properties
Accessible surface: 299.269	Positive charged surface: 144.773	Negative charged surface: 148.111	Volume: 127.875
Hydrophobic surface: 247.913	Hydrophilic surface: 51.356

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.