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MMsINC code: MMs00690904

Type: Neutral
Formula: C₂₄H₂₅N₂+

SMILES:

[NH+]1(CCc2c(C1)cccc2)Cc1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C24H24N2/c1-2-26-23-10-6-5-9-21(23)22-15-18(11-12-24(22)26)16-25-14-13-19-7-3-4-8-20(19)17-25/h3-12,15H,2,13-14,16-17H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0839 kcal/mol

Physical Properties
Molecular Weight: 341.478 g/mol	logS: -5.54151	SlogP: 4.75477	Reactive groups: 0

Topological Properties
Globularity: 0.154352	Sterimol/B1: 2.04953	Sterimol/B2: 2.89046	Sterimol/B3: 6.81929
Sterimol/B4: 7.03902	Sterimol/L: 16.4582

Surface and Volume Properties
Accessible surface: 624.529	Positive charged surface: 401.61	Negative charged surface: 213.261	Volume: 365.25
Hydrophobic surface: 585.449	Hydrophilic surface: 39.08

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules

MMs00690905
CHEMBRIDGE-ZINC01227038