MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03201567

Type: Ionized
Formula: C₁₂H₃₄N₈+4

SMILES:

[NH2+](CCCC[NH2+]CCCNC(=[NH2+])N)CCCNC(=[NH2+])N

InChI:

InChI=1/C12H30N8/c13-11(14)19-9-3-7-17-5-1-2-6-18-8-4-10-20-12(15)16/h17-18H,1-10H2,(H4,13,14,19)(H4,15,16,20)/p+4

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-100.3 kcal/mol

Physical Properties
Molecular Weight: 290.46 g/mol	logS: -0.47502	SlogP: -6.9996	Reactive groups: 0

Topological Properties
Globularity: 0.022876	Sterimol/B1: 2.46459	Sterimol/B2: 2.81707	Sterimol/B3: 3.49741
Sterimol/B4: 4.10933	Sterimol/L: 23.6648

Surface and Volume Properties
Accessible surface: 673.477	Positive charged surface: 620.007	Negative charged surface: 53.4697	Volume: 319.875
Hydrophobic surface: 305.455	Hydrophilic surface: 368.022

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 8
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Parent related molecule:

MMs03201566
PUBCHEM-ZINC05113211