MMsINC Database Search


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

MMsINC code: MMs02287682

Type: Neutral
Formula: C₁₉H₁₈O₇

SMILES:

O1c2c(C(=O)C(OC)=C1c1ccc(OC)cc1)c(O)cc(OC)c2OC

InChI:

InChI=1/C19H18O7/c1-22-11-7-5-10(6-8-11)16-19(25-4)15(21)14-12(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.928 kcal/mol

Physical Properties
Molecular Weight: 358.346 g/mol	logS: -4.42409	SlogP: 3.0083	Reactive groups: 1

Topological Properties
Globularity: 0.0513479	Sterimol/B1: 2.51768	Sterimol/B2: 4.14848	Sterimol/B3: 4.5522
Sterimol/B4: 6.20267	Sterimol/L: 17.8255

Surface and Volume Properties
Accessible surface: 593.968	Positive charged surface: 465.481	Negative charged surface: 128.487	Volume: 325.5
Hydrophobic surface: 490.422	Hydrophilic surface: 103.546

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.