MMsINC Database Search


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

MMsINC code: MMs02222443

Type: Neutral
Formula: C₂₆H₂₄N₂

SMILES:

n1c2c(cccc2)c(cc1)\C=C\c1ccc(N(Cc2ccccc2)CC)cc1

InChI:

InChI=1/C26H24N2/c1-2-28(20-22-8-4-3-5-9-22)24-16-13-21(14-17-24)12-15-23-18-19-27-26-11-7-6-10-25(23)26/h3-19H,2,20H2,1H3/b15-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.849 kcal/mol

Physical Properties
Molecular Weight: 364.492 g/mol	logS: -6.87012	SlogP: 6.6981	Reactive groups: 0

Topological Properties
Globularity: 0.049968	Sterimol/B1: 2.24577	Sterimol/B2: 2.38744	Sterimol/B3: 4.94315
Sterimol/B4: 8.61027	Sterimol/L: 18.48

Surface and Volume Properties
Accessible surface: 664.617	Positive charged surface: 383.159	Negative charged surface: 276.279	Volume: 386.375
Hydrophobic surface: 605.916	Hydrophilic surface: 58.701

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:

Ions/Tautomers related molecules: no related molecules available.