MMsINC Database Search


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

MMsINC code: MMs00550023

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

O(C(=O)c1ccccc1)c1ccc(cc1)\C=N\c1ccc(N=Nc2ccccc2)cc1

InChI:

InChI=1/C26H19N3O2/c30-26(21-7-3-1-4-8-21)31-25-17-11-20(12-18-25)19-27-22-13-15-24(16-14-22)29-28-23-9-5-2-6-10-23/h1-19H/b27-19+,29-28-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.547 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -7.31648	SlogP: 7.0718	Reactive groups: 0

Topological Properties
Globularity: 0.0268007	Sterimol/B1: 3.41488	Sterimol/B2: 3.46198	Sterimol/B3: 4.15365
Sterimol/B4: 5.95997	Sterimol/L: 22.6741

Surface and Volume Properties
Accessible surface: 716.346	Positive charged surface: 379.963	Negative charged surface: 336.383	Volume: 394.25
Hydrophobic surface: 667.771	Hydrophilic surface: 48.575

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.