MMsINC Database Search


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

MMsINC code: MMs00530176

Type: Neutral
Formula: C₂₆H₂₀N₂O

SMILES:

O(CC)c1ccc(cc1)-c1cc(nc2c1c1c(cc2)cccc1)-c1cccnc1

InChI:

InChI=1/C26H20N2O/c1-2-29-21-12-9-19(10-13-21)23-16-25(20-7-5-15-27-17-20)28-24-14-11-18-6-3-4-8-22(18)26(23)24/h3-17H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.544 kcal/mol

Physical Properties
Molecular Weight: 376.459 g/mol	logS: -7.79231	SlogP: 6.5157	Reactive groups: 0

Topological Properties
Globularity: 0.0392535	Sterimol/B1: 3.05623	Sterimol/B2: 3.18387	Sterimol/B3: 4.23163
Sterimol/B4: 9.7737	Sterimol/L: 17.7416

Surface and Volume Properties
Accessible surface: 651.42	Positive charged surface: 404.377	Negative charged surface: 224.279	Volume: 372.5
Hydrophobic surface: 585.224	Hydrophilic surface: 66.196

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.