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MMsINC code: MMs01528270

Type: Neutral
Formula: C₁₄H₁₅FN+

SMILES:

Fc1ccc(cc1)C([NH2+]C)c1ccccc1

InChI:

InChI=1/C14H14FN/c1-16-14(11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,14,16H,1H3/p+1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9454 kcal/mol

Physical Properties
Molecular Weight: 216.279 g/mol	logS: -3.16387	SlogP: 2.2038	Reactive groups: 0

Topological Properties
Globularity: 0.269862	Sterimol/B1: 2.42717	Sterimol/B2: 3.54105	Sterimol/B3: 4.15696
Sterimol/B4: 7.09253	Sterimol/L: 12.138

Surface and Volume Properties
Accessible surface: 440.627	Positive charged surface: 273.986	Negative charged surface: 166.641	Volume: 226.375
Hydrophobic surface: 394.891	Hydrophilic surface: 45.736

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

MMs01528271
ENAMINE-ZINC03886967