MMsINC Database Search


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MMsINC code: MMs00672715

Type: Neutral
Formula: C₂₀H₁₉N₂+

SMILES:

[n+]1(c2c(n(CC)c1C)c1c(cc2)cccc1)-c1ccccc1

InChI:

InChI=1/C20H19N2/c1-3-21-15(2)22(17-10-5-4-6-11-17)19-14-13-16-9-7-8-12-18(16)20(19)21/h4-14H,3H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2416 kcal/mol

Physical Properties
Molecular Weight: 287.386 g/mol	logS: -5.58945	SlogP: 4.66592	Reactive groups: 0

Topological Properties
Globularity: 0.077029	Sterimol/B1: 2.37148	Sterimol/B2: 2.46505	Sterimol/B3: 4.5675
Sterimol/B4: 8.26274	Sterimol/L: 14.9159

Surface and Volume Properties
Accessible surface: 518.768	Positive charged surface: 316.474	Negative charged surface: 196.897	Volume: 300
Hydrophobic surface: 477.071	Hydrophilic surface: 41.697

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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: no related molecules available.