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MMsINC code: MMs00703561

Type: Neutral
Formula: C₁₄H₁₈FN₂+

SMILES:

Fc1ccccc1CC[NH2+]Cc1n(ccc1)C

InChI:

InChI=1/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.764 kcal/mol

Physical Properties
Molecular Weight: 233.31 g/mol	logS: -1.71549	SlogP: 2.09587	Reactive groups: 0

Topological Properties
Globularity: 0.046917	Sterimol/B1: 2.11287	Sterimol/B2: 2.57266	Sterimol/B3: 3.59157
Sterimol/B4: 6.05613	Sterimol/L: 15.6956

Surface and Volume Properties
Accessible surface: 490.529	Positive charged surface: 320.903	Negative charged surface: 169.626	Volume: 246.75
Hydrophobic surface: 437.203	Hydrophilic surface: 53.326

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

MMs00703562
CHEMBRIDGE-ZINC02178159