MMsINC Database Search


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

MMsINC code: MMs02204655

Type: Neutral
Formula: C₃₀H₃₀O₅

SMILES:

O(Cc1ccccc1)c1ccccc1OCCOCCOc1ccccc1OCc1ccccc1

InChI:

InChI=1/C30H30O5/c1-3-11-25(12-4-1)23-34-29-17-9-7-15-27(29)32-21-19-31-20-22-33-28-16-8-10-18-30(28)35-24-26-13-5-2-6-14-26/h1-18H,19-24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.783 kcal/mol

Physical Properties
Molecular Weight: 470.565 g/mol	logS: -7.05918	SlogP: 6.8518	Reactive groups: 0

Topological Properties
Globularity: 0.123989	Sterimol/B1: 3.52001	Sterimol/B2: 3.99536	Sterimol/B3: 5.28722
Sterimol/B4: 10.5539	Sterimol/L: 18.8137

Surface and Volume Properties
Accessible surface: 889.516	Positive charged surface: 561.772	Negative charged surface: 327.744	Volume: 474.5
Hydrophobic surface: 864.256	Hydrophilic surface: 25.26

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.