MMsINC Database Search


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MMsINC code: MMs02300241

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

Oc1ccccc1C(OCOC(=O)C)=O

InChI:

InChI=1/C10H10O5/c1-7(11)14-6-15-10(13)8-4-2-3-5-9(8)12/h2-5,12H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5921 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -1.52569	SlogP: 1.0696	Reactive groups: 0

Topological Properties
Globularity: 0.12624	Sterimol/B1: 2.32532	Sterimol/B2: 3.74266	Sterimol/B3: 4.62027
Sterimol/B4: 5.12787	Sterimol/L: 12.9622

Surface and Volume Properties
Accessible surface: 416.847	Positive charged surface: 252.444	Negative charged surface: 164.403	Volume: 187.875
Hydrophobic surface: 288.73	Hydrophilic surface: 128.117

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.