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MMsINC code: MMs00499738

Type: Neutral
Formula: C₁₅H₁₇FN+

SMILES:

Fc1ccccc1CC(C[NH3+])c1ccccc1

InChI:

InChI=1/C15H16FN/c16-15-9-5-4-8-13(15)10-14(11-17)12-6-2-1-3-7-12/h1-9,14H,10-11,17H2/p+1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.168 kcal/mol

Physical Properties
Molecular Weight: 230.306 g/mol	logS: -3.08579	SlogP: 2.39387	Reactive groups: 0

Topological Properties
Globularity: 0.146738	Sterimol/B1: 3.05066	Sterimol/B2: 3.23378	Sterimol/B3: 4.25428
Sterimol/B4: 5.2107	Sterimol/L: 14.3479

Surface and Volume Properties
Accessible surface: 463.884	Positive charged surface: 293.117	Negative charged surface: 170.767	Volume: 243.375
Hydrophobic surface: 398.352	Hydrophilic surface: 65.532

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

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

MMs00499739
CHEMBLOCK-ZINC00112544