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MMsINC code: MMs02465867

Type: Neutral
Formula: C₂₄H₄₀N₄+2

SMILES:

[NH+](CCNc1ccc(cc1)-c1ccc(NCC[NH+](CC)CC)cc1)(CC)CC

InChI:

InChI=1/C24H38N4/c1-5-27(6-2)19-17-25-23-13-9-21(10-14-23)22-11-15-24(16-12-22)26-18-20-28(7-3)8-4/h9-16,25-26H,5-8,17-20H2,1-4H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.855 kcal/mol

Physical Properties
Molecular Weight: 384.612 g/mol	logS: -4.46002	SlogP: 2.0268	Reactive groups: 0

Topological Properties
Globularity: 0.0250917	Sterimol/B1: 2.78794	Sterimol/B2: 3.10392	Sterimol/B3: 4.77992
Sterimol/B4: 6.11496	Sterimol/L: 25.4139

Surface and Volume Properties
Accessible surface: 792.921	Positive charged surface: 592.653	Negative charged surface: 196.148	Volume: 444.125
Hydrophobic surface: 635.648	Hydrophilic surface: 157.273

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02465868
NCID-ZINC05488221