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MMsINC code: MMs00833371

Type: Neutral
Formula: C₂₀H₂₆N₄+2

SMILES:

[nH+]1c2c(n(C)c1C[NH+]1CCN(CC1)c1cc(ccc1)C)cccc2

InChI:

InChI=1/C20H24N4/c1-16-6-5-7-17(14-16)24-12-10-23(11-13-24)15-20-21-18-8-3-4-9-19(18)22(20)2/h3-9,14H,10-13,15H2,1-2H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.165 kcal/mol

Physical Properties
Molecular Weight: 322.456 g/mol	logS: -3.69759	SlogP: 1.83152	Reactive groups: 0

Topological Properties
Globularity: 0.0673658	Sterimol/B1: 2.08182	Sterimol/B2: 3.40389	Sterimol/B3: 4.46457
Sterimol/B4: 7.20894	Sterimol/L: 18.0219

Surface and Volume Properties
Accessible surface: 611.64	Positive charged surface: 449.735	Negative charged surface: 161.905	Volume: 344.875
Hydrophobic surface: 523.089	Hydrophilic surface: 88.551

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

MMs00833372
CHEMDIV-ZINC00110581