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MMsINC code: MMs02876914

Type: Neutral
Formula: C₂₀H₁₈O₉

SMILES:

O(C(=O)c1ccccc1C(O)=O)CCOCCOC(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C20H18O9/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24/h1-8H,9-12H2,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.726 kcal/mol

Physical Properties
Molecular Weight: 402.355 g/mol	logS: -4.02412	SlogP: 2.1134	Reactive groups: 0

Topological Properties
Globularity: 0.107832	Sterimol/B1: 2.42421	Sterimol/B2: 5.03866	Sterimol/B3: 5.60178
Sterimol/B4: 7.00666	Sterimol/L: 18.3372

Surface and Volume Properties
Accessible surface: 704.756	Positive charged surface: 442.318	Negative charged surface: 262.438	Volume: 353.875
Hydrophobic surface: 478.786	Hydrophilic surface: 225.97

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 7	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

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Ions/Tautomers related molecules

MMs02876915
PUBCHEM-ZINC02149479