MMsINC Database Search


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

MMsINC code: MMs00757209

Type: Neutral
Formula: C₂₀H₁₈O₆

SMILES:

o1c2c(cc(OC(=O)c3ccccc3OC)cc2)c(C(OCC)=O)c1C

InChI:

InChI=1/C20H18O6/c1-4-24-20(22)18-12(2)25-17-10-9-13(11-15(17)18)26-19(21)14-7-5-6-8-16(14)23-3/h5-11H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.059 kcal/mol

Physical Properties
Molecular Weight: 354.358 g/mol	logS: -6.01698	SlogP: 4.14572	Reactive groups: 0

Topological Properties
Globularity: 0.126345	Sterimol/B1: 2.53322	Sterimol/B2: 3.44875	Sterimol/B3: 6.46166
Sterimol/B4: 9.78436	Sterimol/L: 16.0928

Surface and Volume Properties
Accessible surface: 643.972	Positive charged surface: 404.915	Negative charged surface: 233.273	Volume: 332
Hydrophobic surface: 548.967	Hydrophilic surface: 95.005

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.