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MMsINC code: MMs03219150

Type: Neutral
Formula: C₁₉H₁₄O₈

SMILES:

O1c2c3c(OC4OC=CC34OC(=O)C)cc(OC)c2C2=C(C(=O)CC2)C1=O

InChI:

InChI=1/C19H14O8/c1-8(20)27-19-5-6-24-18(19)25-12-7-11(23-2)14-9-3-4-10(21)13(9)17(22)26-16(14)15(12)19/h5-7,18H,3-4H2,1-2H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.399 kcal/mol

Physical Properties
Molecular Weight: 370.313 g/mol	logS: -3.9959	SlogP: 2.063	Reactive groups: 1

Topological Properties
Globularity: 0.121246	Sterimol/B1: 2.30022	Sterimol/B2: 4.40735	Sterimol/B3: 6.81486
Sterimol/B4: 6.92066	Sterimol/L: 14.1816

Surface and Volume Properties
Accessible surface: 560.982	Positive charged surface: 354.587	Negative charged surface: 206.394	Volume: 311.125
Hydrophobic surface: 391.848	Hydrophilic surface: 169.134

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.