MMsINC Database Search


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MMsINC code: MMs01251291

Type: Neutral
Formula: C₂₀H₁₅FN₃O+

SMILES:

Fc1ccccc1C(=O)Nc1[n+]2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C20H14FN3O/c21-16-11-5-4-10-15(16)20(25)23-19-18(14-8-2-1-3-9-14)22-17-12-6-7-13-24(17)19/h1-13H,(H,23,25)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5941 kcal/mol

Physical Properties
Molecular Weight: 332.358 g/mol	logS: -6.55431	SlogP: 3.8118	Reactive groups: 0

Topological Properties
Globularity: 0.0792364	Sterimol/B1: 2.49603	Sterimol/B2: 3.21664	Sterimol/B3: 3.80648
Sterimol/B4: 10.9234	Sterimol/L: 14.5539

Surface and Volume Properties
Accessible surface: 566.528	Positive charged surface: 318.272	Negative charged surface: 248.256	Volume: 312.5
Hydrophobic surface: 490.005	Hydrophilic surface: 76.523

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 3
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.