MMsINC Database Search


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

MMsINC code: MMs00910028

Type: Neutral
Formula: C₂₆H₁₆N₂O₃

SMILES:

o1c2c(nc1-c1ccc(Oc3ccc(cc3)-c3oc4c(n3)cccc4)cc1)cccc2

InChI:

InChI=1/C26H16N2O3/c1-3-7-23-21(5-1)27-25(30-23)17-9-13-19(14-10-17)29-20-15-11-18(12-16-20)26-28-22-6-2-4-8-24(22)31-26/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.71 kcal/mol

Physical Properties
Molecular Weight: 404.425 g/mol	logS: -9.79893	SlogP: 7.0953	Reactive groups: 0

Topological Properties
Globularity: 0.0298663	Sterimol/B1: 2.4373	Sterimol/B2: 3.95321	Sterimol/B3: 3.96135
Sterimol/B4: 8.41098	Sterimol/L: 22.472

Surface and Volume Properties
Accessible surface: 698.165	Positive charged surface: 390.65	Negative charged surface: 307.515	Volume: 378.625
Hydrophobic surface: 621.333	Hydrophilic surface: 76.832

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.