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MMsINC code: MMs00844333

Type: Neutral
Formula: C₁₇H₁₆O₅

SMILES:

O(CC(OCC(=O)c1ccccc1)=O)c1ccccc1OC

InChI:

InChI=1/C17H16O5/c1-20-15-9-5-6-10-16(15)21-12-17(19)22-11-14(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.333 kcal/mol

Physical Properties
Molecular Weight: 300.31 g/mol	logS: -3.99306	SlogP: 2.5001	Reactive groups: 1

Topological Properties
Globularity: 0.00485267	Sterimol/B1: 2.3766	Sterimol/B2: 2.37705	Sterimol/B3: 2.53638
Sterimol/B4: 7.46123	Sterimol/L: 18.6887

Surface and Volume Properties
Accessible surface: 576.969	Positive charged surface: 357.37	Negative charged surface: 219.599	Volume: 285.75
Hydrophobic surface: 481.593	Hydrophilic surface: 95.376

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.