MMsINC Database Search


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

MMsINC code: MMs02496567

Type: Neutral
Formula: C₁₉H₂₀O₆

SMILES:

O1c2cc(C\C=C/c3cc(OC)c(OC)c(OC)c3)c(O)cc2OC1

InChI:

InChI=1/C19H20O6/c1-21-17-7-12(8-18(22-2)19(17)23-3)5-4-6-13-9-15-16(10-14(13)20)25-11-24-15/h4-5,7-10,20H,6,11H2,1-3H3/b5-4-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.352 kcal/mol

Physical Properties
Molecular Weight: 344.363 g/mol	logS: -4.06482	SlogP: 3.40257	Reactive groups: 0

Topological Properties
Globularity: 0.0897681	Sterimol/B1: 2.4777	Sterimol/B2: 3.28142	Sterimol/B3: 4.46156
Sterimol/B4: 8.79664	Sterimol/L: 17.0782

Surface and Volume Properties
Accessible surface: 587.559	Positive charged surface: 458.497	Negative charged surface: 129.062	Volume: 322
Hydrophobic surface: 473.913	Hydrophilic surface: 113.646

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.