MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02230190

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

O1CC(=O)c2c1cc(OC)c(O)c2OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8942 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -1.62782	SlogP: 0.9845	Reactive groups: 0

Topological Properties
Globularity: 0.0633473	Sterimol/B1: 2.43314	Sterimol/B2: 2.91162	Sterimol/B3: 4.48117
Sterimol/B4: 4.79589	Sterimol/L: 11.4634

Surface and Volume Properties
Accessible surface: 395.845	Positive charged surface: 309.18	Negative charged surface: 86.6645	Volume: 182
Hydrophobic surface: 281.736	Hydrophilic surface: 114.109

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.