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MMsINC code: MMs02548287

Type: Neutral
Formula: C₁₅H₁₇FN+

SMILES:

Fc1ccc(cc1)C([NH2+]Cc1ccccc1)C

InChI:

InChI=1/C15H16FN/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3/p+1/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.8115 kcal/mol

Physical Properties
Molecular Weight: 230.306 g/mol	logS: -3.49108	SlogP: 3.0122	Reactive groups: 0

Topological Properties
Globularity: 0.147677	Sterimol/B1: 2.11216	Sterimol/B2: 3.38313	Sterimol/B3: 4.41601
Sterimol/B4: 6.56711	Sterimol/L: 14.035

Surface and Volume Properties
Accessible surface: 479.434	Positive charged surface: 279.873	Negative charged surface: 199.561	Volume: 244.625
Hydrophobic surface: 441.408	Hydrophilic surface: 38.026

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

MMs02548288
OAKWOOD-ZINC04240699