MMsINC Database Search


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MMsINC code: MMs02824215

Type: Neutral
Formula: C₁₂H₁₀O₄

SMILES:

Oc1cc(cc(O)c1)-c1cc(O)cc(O)c1

InChI:

InChI=1/C12H10O4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6,13-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4853 kcal/mol

Physical Properties
Molecular Weight: 218.208 g/mol	logS: -2.36346	SlogP: 2.176	Reactive groups: 0

Topological Properties
Globularity: 0.0116019	Sterimol/B1: 2.22723	Sterimol/B2: 2.28514	Sterimol/B3: 2.9558
Sterimol/B4: 5.36988	Sterimol/L: 12.1607

Surface and Volume Properties
Accessible surface: 418.661	Positive charged surface: 231.612	Negative charged surface: 175.977	Volume: 195.875
Hydrophobic surface: 210.392	Hydrophilic surface: 208.269

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.