MMsINC Database Search


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

MMsINC code: MMs00262259

Type: Neutral
Formula: C₂₆H₂₀O₂

SMILES:

O1c2c(C=CC1(c1ccc(OC)cc1)c1ccccc1)c1c(cc2)cccc1

InChI:

InChI=1/C26H20O2/c1-27-22-14-12-21(13-15-22)26(20-8-3-2-4-9-20)18-17-24-23-10-6-5-7-19(23)11-16-25(24)28-26/h2-18H,1H3/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.182 kcal/mol

Physical Properties
Molecular Weight: 364.444 g/mol	logS: -7.52754	SlogP: 6.5093	Reactive groups: 0

Topological Properties
Globularity: 0.156898	Sterimol/B1: 2.41656	Sterimol/B2: 3.83773	Sterimol/B3: 4.9149
Sterimol/B4: 7.71697	Sterimol/L: 18.2272

Surface and Volume Properties
Accessible surface: 620.594	Positive charged surface: 364.99	Negative charged surface: 244.952	Volume: 365.125
Hydrophobic surface: 604.073	Hydrophilic surface: 16.521

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.