MMsINC Database Search


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MMsINC code: MMs01584146

Type: Neutral
Formula: C₁₅H₁₂O₅

SMILES:

O1c2cc(ccc2OC1)COC(=O)c1cc(O)ccc1

InChI:

InChI=1/C15H12O5/c16-12-3-1-2-11(7-12)15(17)18-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,16H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.507 kcal/mol

Physical Properties
Molecular Weight: 272.256 g/mol	logS: -3.12766	SlogP: 2.7443	Reactive groups: 0

Topological Properties
Globularity: 0.0585615	Sterimol/B1: 2.51832	Sterimol/B2: 3.72837	Sterimol/B3: 3.84582
Sterimol/B4: 5.99894	Sterimol/L: 16.3415

Surface and Volume Properties
Accessible surface: 505.729	Positive charged surface: 307.244	Negative charged surface: 198.485	Volume: 245.375
Hydrophobic surface: 355.679	Hydrophilic surface: 150.05

Pharmacophoric Properties
Hydrogen bond donors: 1	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.