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MMsINC code: MMs02854925

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O(C(OCC)=O)c1ccccc1C(O)=O

InChI:

InChI=1/C10H10O5/c1-2-14-10(13)15-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3683 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -2.10447	SlogP: 1.9201	Reactive groups: 0

Topological Properties
Globularity: 0.0402998	Sterimol/B1: 2.71205	Sterimol/B2: 2.9141	Sterimol/B3: 4.22574
Sterimol/B4: 5.38521	Sterimol/L: 13.2634

Surface and Volume Properties
Accessible surface: 412.561	Positive charged surface: 247.092	Negative charged surface: 165.469	Volume: 186.875
Hydrophobic surface: 262.74	Hydrophilic surface: 149.821

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02854926
PUBCHEM-ZINC02019267