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MMsINC code: MMs02262082

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O(C(=O)C)c1cc(ccc1OC)C(O)=O

InChI:

InChI=1/C10H10O5/c1-6(11)15-9-5-7(10(12)13)3-4-8(9)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)=54.1594 kcal/mol

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

Topological Properties
Globularity: 0.041359	Sterimol/B1: 2.57225	Sterimol/B2: 2.63864	Sterimol/B3: 3.09448
Sterimol/B4: 7.11908	Sterimol/L: 12.2533

Surface and Volume Properties
Accessible surface: 414.301	Positive charged surface: 261.583	Negative charged surface: 152.718	Volume: 185.875
Hydrophobic surface: 270.923	Hydrophilic surface: 143.378

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

MMs02262083
NCID-ZINC01611432