MMsINC Database Search


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MMsINC code: MMs02546224

Type: Neutral
Formula: C₂₀H₂₀O₈

SMILES:

O1c2c(C(=O)C=C1c1cc(OC)c(OC)c(OC)c1OC)c(O)cc(OC)c2

InChI:

InChI=1/C20H20O8/c1-23-10-6-12(21)17-13(22)9-14(28-15(17)7-10)11-8-16(24-2)19(26-4)20(27-5)18(11)25-3/h6-9,21H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.439 kcal/mol

Physical Properties
Molecular Weight: 388.372 g/mol	logS: -4.43844	SlogP: 3.0514	Reactive groups: 1

Topological Properties
Globularity: 0.0985072	Sterimol/B1: 2.37404	Sterimol/B2: 4.36232	Sterimol/B3: 5.68516
Sterimol/B4: 6.9677	Sterimol/L: 17.2271

Surface and Volume Properties
Accessible surface: 635.01	Positive charged surface: 509.077	Negative charged surface: 125.933	Volume: 351.75
Hydrophobic surface: 518.536	Hydrophilic surface: 116.474

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.