MMsINC Database Search


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MMsINC code: MMs00054884

Type: Neutral
Formula: C₁₂H₁₀FN

SMILES:

Fc1ccc(cc1)-c1cc(N)ccc1

InChI:

InChI=1/C12H10FN/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2328 kcal/mol

Physical Properties
Molecular Weight: 187.217 g/mol	logS: -3.82712	SlogP: 3.0749	Reactive groups: 0

Topological Properties
Globularity: 9.01102e-07	Sterimol/B1: 2.09787	Sterimol/B2: 2.10216	Sterimol/B3: 2.49307
Sterimol/B4: 5.75168	Sterimol/L: 12.4262

Surface and Volume Properties
Accessible surface: 381.934	Positive charged surface: 189.222	Negative charged surface: 181.64	Volume: 186.625
Hydrophobic surface: 321.752	Hydrophilic surface: 60.182

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.