MMsINC Database Search


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

MMsINC code: MMs03462367

Type: Neutral
Formula: C₂₄H₂₄N₂

SMILES:

N(=C\c1ccc(cc1)\C=N\C(C)c1ccccc1)/C(C)c1ccccc1

InChI:

InChI=1/C24H24N2/c1-19(23-9-5-3-6-10-23)25-17-21-13-15-22(16-14-21)18-26-20(2)24-11-7-4-8-12-24/h3-20H,1-2H3/b25-17+,26-18+/t19-,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6779 kcal/mol

Physical Properties
Molecular Weight: 340.47 g/mol	logS: -5.77686	SlogP: 6.2378	Reactive groups: 0

Topological Properties
Globularity: 0.0556517	Sterimol/B1: 2.2593	Sterimol/B2: 3.17714	Sterimol/B3: 5.30399
Sterimol/B4: 6.89552	Sterimol/L: 18.7492

Surface and Volume Properties
Accessible surface: 686.15	Positive charged surface: 415.216	Negative charged surface: 270.934	Volume: 369.375
Hydrophobic surface: 618.508	Hydrophilic surface: 67.642

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