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MMsINC code: MMs00094291

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

OC(=O)c1ccc(cc1C(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C15H10O5/c16-13(9-4-2-1-3-5-9)12-8-10(14(17)18)6-7-11(12)15(19)20/h1-8H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1895 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.39649	SlogP: 2.314	Reactive groups: 0

Topological Properties
Globularity: 0.140065	Sterimol/B1: 3.08713	Sterimol/B2: 3.72538	Sterimol/B3: 5.45537
Sterimol/B4: 6.3798	Sterimol/L: 13.6582

Surface and Volume Properties
Accessible surface: 470.141	Positive charged surface: 244.808	Negative charged surface: 225.333	Volume: 239.125
Hydrophobic surface: 265.499	Hydrophilic surface: 204.642

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00094292
ASINEX-ZINC00225934