MMsINC Database Search


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

MMsINC code: MMs03951367

Type: Ionized
Formula: C₂₄H₃₂N₄+2

SMILES:

[NH+]1(CCN(CC1)c1ccccc1)C1CC[NH+](CC1)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H30N4/c1-2-6-21(7-3-1)27-14-16-28(17-15-27)22-10-12-26(13-11-22)19-20-18-25-24-9-5-4-8-23(20)24/h1-9,18,22,25H,10-17,19H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.843 kcal/mol

Physical Properties
Molecular Weight: 376.548 g/mol	logS: -3.81831	SlogP: 1.3867	Reactive groups: 0

Topological Properties
Globularity: 0.071275	Sterimol/B1: 3.71767	Sterimol/B2: 4.14998	Sterimol/B3: 4.80427
Sterimol/B4: 5.354	Sterimol/L: 20.5228

Surface and Volume Properties
Accessible surface: 686.827	Positive charged surface: 495.661	Negative charged surface: 187.092	Volume: 400.5
Hydrophobic surface: 599.9	Hydrophilic surface: 86.927

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs03951366
VITASM-ZINC02734899