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MMsINC code: MMs03363810

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C)c1c(cccc1CC(O)=O)C(=O)c1ccccc1

InChI:

InChI=1/C16H14O4/c1-20-16-12(10-14(17)18)8-5-9-13(16)15(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5369 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.53894	SlogP: 2.55327	Reactive groups: 0

Topological Properties
Globularity: 0.267873	Sterimol/B1: 2.10687	Sterimol/B2: 4.79116	Sterimol/B3: 4.85618
Sterimol/B4: 6.38749	Sterimol/L: 12.6956

Surface and Volume Properties
Accessible surface: 484.889	Positive charged surface: 294.671	Negative charged surface: 190.218	Volume: 256.75
Hydrophobic surface: 367.563	Hydrophilic surface: 117.326

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

MMs03363811
PUBCHEM-ZINC05732312