MMsINC Database Search


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

MMsINC code: MMs02290009

Type: Neutral
Formula: C₁₉H₁₈O₇

SMILES:

O1c2c(C(=O)C(OC)=C1c1ccc(OC)cc1)c(O)c(OC)c(OC)c2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.184 kcal/mol

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

Topological Properties
Globularity: 0.0519568	Sterimol/B1: 2.47908	Sterimol/B2: 4.39514	Sterimol/B3: 4.57239
Sterimol/B4: 6.08722	Sterimol/L: 18.1606

Surface and Volume Properties
Accessible surface: 601.386	Positive charged surface: 469.712	Negative charged surface: 131.674	Volume: 326.75
Hydrophobic surface: 506.079	Hydrophilic surface: 95.307

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.