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MMsINC code: MMs00833858

Type: Neutral
Formula: C₁₈H₁₄O₇

SMILES:

O1C=C(Oc2ccc(OC)cc2)C(=O)c2c1cc(OCC(O)=O)cc2

InChI:

InChI=1/C18H14O7/c1-22-11-2-4-12(5-3-11)25-16-9-24-15-8-13(23-10-17(19)20)6-7-14(15)18(16)21/h2-9H,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.835 kcal/mol

Physical Properties
Molecular Weight: 342.303 g/mol	logS: -4.39713	SlogP: 2.6541	Reactive groups: 1

Topological Properties
Globularity: 0.0308236	Sterimol/B1: 2.66659	Sterimol/B2: 3.05889	Sterimol/B3: 4.46804
Sterimol/B4: 6.47547	Sterimol/L: 20.2641

Surface and Volume Properties
Accessible surface: 581.434	Positive charged surface: 344.647	Negative charged surface: 236.787	Volume: 297.875
Hydrophobic surface: 419.354	Hydrophilic surface: 162.08

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs00833859
CHEMDIV-ZINC00120943