MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00122698

Type: Neutral
Formula: C₁₉H₂₃FN₂

SMILES:

Fc1ccccc1CN1CCN(CC1)Cc1ccc(cc1)C

InChI:

InChI=1/C19H23FN2/c1-16-6-8-17(9-7-16)14-21-10-12-22(13-11-21)15-18-4-2-3-5-19(18)20/h2-9H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9863 kcal/mol

Physical Properties
Molecular Weight: 298.405 g/mol	logS: -3.83986	SlogP: 3.98472	Reactive groups: 0

Topological Properties
Globularity: 0.0824985	Sterimol/B1: 2.81714	Sterimol/B2: 3.17641	Sterimol/B3: 4.00211
Sterimol/B4: 7.1885	Sterimol/L: 16.0307

Surface and Volume Properties
Accessible surface: 566.644	Positive charged surface: 387.635	Negative charged surface: 179.009	Volume: 313.25
Hydrophobic surface: 553.668	Hydrophilic surface: 12.976

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
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

search links for this molecule:

Ions/Tautomers related molecules

MMs00122699
ASINEX-ZINC00351184