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MMsINC code: MMs00260712

Type: Neutral
Formula: C₂₀H₂₄N₄+2

SMILES:

[nH+]1c2c([nH]c1CCCCCCc1[nH+]c3c([nH]1)cccc3)cccc2

InChI:

InChI=1/C20H22N4/c1(3-13-19-21-15-9-5-6-10-16(15)22-19)2-4-14-20-23-17-11-7-8-12-18(17)24-20/h5-12H,1-4,13-14H2,(H,21,22)(H,23,24)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7765 kcal/mol

Physical Properties
Molecular Weight: 320.44 g/mol	logS: -5.13752	SlogP: 3.62294	Reactive groups: 0

Topological Properties
Globularity: 0.0202172	Sterimol/B1: 2.78362	Sterimol/B2: 3.30813	Sterimol/B3: 3.86232
Sterimol/B4: 4.71957	Sterimol/L: 22.1502

Surface and Volume Properties
Accessible surface: 652.53	Positive charged surface: 468.249	Negative charged surface: 184.281	Volume: 332.625
Hydrophobic surface: 512.691	Hydrophilic surface: 139.839

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 4
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

MMs00260713
ASINEX-ZINC02025620