MMsINC Database Search


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MMsINC code: MMs03937190

Type: Neutral
Formula: C₁₀H₁₀O₆

SMILES:

O1C(C(O)(O)C(O)(O)C1=O)c1ccccc1

InChI:

InChI=1/C10H10O6/c11-8-10(14,15)9(12,13)7(16-8)6-4-2-1-3-5-6/h1-5,7,12-15H/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1037 kcal/mol

Physical Properties
Molecular Weight: 226.184 g/mol	logS: -1.21721	SlogP: -1.2582	Reactive groups: 0

Topological Properties
Globularity: 0.138361	Sterimol/B1: 3.20355	Sterimol/B2: 3.66601	Sterimol/B3: 3.84911
Sterimol/B4: 4.42207	Sterimol/L: 11.6307

Surface and Volume Properties
Accessible surface: 389.676	Positive charged surface: 210.22	Negative charged surface: 179.456	Volume: 187.125
Hydrophobic surface: 185.064	Hydrophilic surface: 204.612

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.