MMsINC Database Search


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MMsINC code: MMs02521163

Type: Neutral
Formula: C₁₄H₂₁FN+

SMILES:

Fc1cc(ccc1)C[NH+]1CCCCCCC1

InChI:

InChI=1/C14H20FN/c15-14-8-6-7-13(11-14)12-16-9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.7945 kcal/mol

Physical Properties
Molecular Weight: 222.327 g/mol	logS: -2.99806	SlogP: 2.4411	Reactive groups: 0

Topological Properties
Globularity: 0.245387	Sterimol/B1: 2.51299	Sterimol/B2: 3.71136	Sterimol/B3: 4.57039
Sterimol/B4: 5.56013	Sterimol/L: 12.2317

Surface and Volume Properties
Accessible surface: 443.624	Positive charged surface: 317.254	Negative charged surface: 126.37	Volume: 241.5
Hydrophobic surface: 429.654	Hydrophilic surface: 13.97

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

MMs02521164
NIH-ZINC00294232