MMsINC Database Search


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

MMsINC code: MMs03337433

Type: Neutral
Formula: C₂₄H₃₈N₂+2

SMILES:

[N+](C)(C)(C)c1ccc(cc1)C(C(CC)c1ccc([N+](C)(C)C)cc1)CC

InChI:

InChI=1/C24H38N2/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8/h11-18,23-24H,9-10H2,1-8H3/q+2/t23-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.367 kcal/mol

Physical Properties
Molecular Weight: 354.582 g/mol	logS: -5.53112	SlogP: 5.7674	Reactive groups: 0

Topological Properties
Globularity: 0.174272	Sterimol/B1: 2.37495	Sterimol/B2: 2.45936	Sterimol/B3: 5.28458
Sterimol/B4: 9.51779	Sterimol/L: 13.9065

Surface and Volume Properties
Accessible surface: 632.929	Positive charged surface: 544.615	Negative charged surface: 88.314	Volume: 405.5
Hydrophobic surface: 497.798	Hydrophilic surface: 135.131

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 2

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.