MMsINC Database Search


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

MMsINC code: MMs00690756

Type: Tautomer
Formula: C₂₄H₂₆N₂

SMILES:

n1(c2c(cc(cc2)CN(Cc2ccccc2)CC)c2c1cccc2)CC

InChI:

InChI=1/C24H26N2/c1-3-25(17-19-10-6-5-7-11-19)18-20-14-15-24-22(16-20)21-12-8-9-13-23(21)26(24)4-2/h5-16H,3-4,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5468 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -5.70924	SlogP: 6.6357	Reactive groups: 0

Topological Properties
Globularity: 0.0969806	Sterimol/B1: 2.47556	Sterimol/B2: 2.73481	Sterimol/B3: 5.51307
Sterimol/B4: 7.80461	Sterimol/L: 16.7872

Surface and Volume Properties
Accessible surface: 635.65	Positive charged surface: 390.635	Negative charged surface: 234.481	Volume: 369.5
Hydrophobic surface: 579.065	Hydrophilic surface: 56.585

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
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: 1

search links for this molecule:

Parent related molecule:

MMs00690755
CHEMBRIDGE-ZINC01226435