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MMsINC code: MMs00820225

Type: Neutral
Formula: C₂₆H₂₅N₃+2

SMILES:

[nH+]1ccccc1N1CC[NH+](CC1)Cc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C26H23N3/c1-2-13-27-24(6-1)29-16-14-28(15-17-29)18-22-10-9-21-8-7-19-4-3-5-20-11-12-23(22)26(21)25(19)20/h1-13H,14-18H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.047 kcal/mol

Physical Properties
Molecular Weight: 379.507 g/mol	logS: -7.2164	SlogP: 3.5696	Reactive groups: 0

Topological Properties
Globularity: 0.0790167	Sterimol/B1: 2.2332	Sterimol/B2: 4.49959	Sterimol/B3: 5.55997
Sterimol/B4: 6.21431	Sterimol/L: 18.8978

Surface and Volume Properties
Accessible surface: 641.704	Positive charged surface: 429.609	Negative charged surface: 186.923	Volume: 389.75
Hydrophobic surface: 569.805	Hydrophilic surface: 71.899

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 3
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

MMs00820226
CHEMBRIDGE-ZINC04987053