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MMsINC code: MMs00836659

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O(C(=O)C)c1ccc(cc1OC)C(O)=O

InChI:

InChI=1/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1664 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -1.75818	SlogP: 1.3187	Reactive groups: 0

Topological Properties
Globularity: 0.0393138	Sterimol/B1: 2.76695	Sterimol/B2: 3.02822	Sterimol/B3: 3.43454
Sterimol/B4: 6.10071	Sterimol/L: 12.7705

Surface and Volume Properties
Accessible surface: 415.851	Positive charged surface: 263.188	Negative charged surface: 152.664	Volume: 186.375
Hydrophobic surface: 270.739	Hydrophilic surface: 145.112

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

MMs00836660
CHEMDIV-ZINC00185066