MMsINC Database Search


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MMsINC code: MMs00045349

Type: Neutral
Formula: C₁₂H₁₀F₂N+

SMILES:

Fc1cccc(F)c1C[n+]1ccccc1

InChI:

InChI=1/C12H10F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h1-8H,9H2/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6241 kcal/mol

Physical Properties
Molecular Weight: 206.215 g/mol	logS: -2.35422	SlogP: 2.567	Reactive groups: 0

Topological Properties
Globularity: 0.15359	Sterimol/B1: 2.12236	Sterimol/B2: 3.86448	Sterimol/B3: 3.86466
Sterimol/B4: 4.57901	Sterimol/L: 11.6497

Surface and Volume Properties
Accessible surface: 388.761	Positive charged surface: 224.969	Negative charged surface: 163.792	Volume: 192.875
Hydrophobic surface: 354.893	Hydrophilic surface: 33.868

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.