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MMsINC code: MMs02552670

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O(C)c1cc(C(O)=O)c(cc1OC)C=O

InChI:

InChI=1/C10H10O5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/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)=65.4824 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -1.46115	SlogP: 1.2145	Reactive groups: 1

Topological Properties
Globularity: 0.0235418	Sterimol/B1: 2.37293	Sterimol/B2: 2.40071	Sterimol/B3: 5.46135
Sterimol/B4: 5.9326	Sterimol/L: 11.956

Surface and Volume Properties
Accessible surface: 398.126	Positive charged surface: 292.955	Negative charged surface: 105.17	Volume: 186.25
Hydrophobic surface: 236.127	Hydrophilic surface: 161.999

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02552671
OAKWOOD-ZINC04299108