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MMsINC code: MMs03248816

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

o1c(COc2ccc(cc2)-c2ccccc2)c(cc1C)C(O)=O

InChI:

InChI=1/C19H16O4/c1-13-11-17(19(20)21)18(23-13)12-22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7675 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -5.6639	SlogP: 4.79862	Reactive groups: 0

Topological Properties
Globularity: 0.0623973	Sterimol/B1: 2.49719	Sterimol/B2: 3.13804	Sterimol/B3: 4.22139
Sterimol/B4: 7.13058	Sterimol/L: 18.489

Surface and Volume Properties
Accessible surface: 575.938	Positive charged surface: 297.444	Negative charged surface: 266.03	Volume: 297.625
Hydrophobic surface: 466.596	Hydrophilic surface: 109.342

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03248817
PUBCHEM-ZINC05361710