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MMsINC code: MMs02236199

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C15H12O4/c1-19-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1859 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.47747	SlogP: 2.6244	Reactive groups: 0

Topological Properties
Globularity: 0.108042	Sterimol/B1: 4.06725	Sterimol/B2: 4.11317	Sterimol/B3: 4.14475
Sterimol/B4: 5.27348	Sterimol/L: 14.6501

Surface and Volume Properties
Accessible surface: 468.429	Positive charged surface: 280.142	Negative charged surface: 188.288	Volume: 239.125
Hydrophobic surface: 352.972	Hydrophilic surface: 115.457

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02236200
NCID-ZINC01578055