MMsINC Database Search


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

MMsINC code: MMs01827998

Type: Neutral
Formula: C₂₄H₁₉N₂+

SMILES:

[nH+]1c2c(n(Cc3cc4c(cc3)cccc4)c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2/c1-2-9-20(10-3-1)24-25-22-12-6-7-13-23(22)26(24)17-18-14-15-19-8-4-5-11-21(19)16-18/h1-16H,17H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.758 kcal/mol

Physical Properties
Molecular Weight: 335.43 g/mol	logS: -8.00564	SlogP: 5.5903	Reactive groups: 0

Topological Properties
Globularity: 0.19836	Sterimol/B1: 2.46886	Sterimol/B2: 3.12175	Sterimol/B3: 4.7759
Sterimol/B4: 9.82234	Sterimol/L: 14.5411

Surface and Volume Properties
Accessible surface: 580.161	Positive charged surface: 350.826	Negative charged surface: 223.85	Volume: 346.875
Hydrophobic surface: 537.63	Hydrophilic surface: 42.531

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules

MMs01827999
IBS-ZINC02303826