MMsINC Database Search


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MMsINC code: MMs02346677

Type: Neutral
Formula: C₁₉H₂₀O₈

SMILES:

O1c2c(C(=O)C(OC)C1c1cc(O)c(OC)cc1)c(O)c(OC)c(OC)c2

InChI:

InChI=1/C19H20O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,17,19-21H,1-4H3/t17-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.884 kcal/mol

Physical Properties
Molecular Weight: 376.361 g/mol	logS: -3.22679	SlogP: 2.5505	Reactive groups: 0

Topological Properties
Globularity: 0.209791	Sterimol/B1: 2.99389	Sterimol/B2: 3.34066	Sterimol/B3: 5.25596
Sterimol/B4: 9.06121	Sterimol/L: 14.6853

Surface and Volume Properties
Accessible surface: 611.466	Positive charged surface: 484.569	Negative charged surface: 126.897	Volume: 334.125
Hydrophobic surface: 464.427	Hydrophilic surface: 147.039

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 8	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.