MMsINC Database Search


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

MMsINC code: MMs01743850

Type: Neutral
Formula: C₁₉H₂₂O₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)CCc1ccc(OC)cc1OC

InChI:

InChI=1/C19H22O5/c1-21-14-7-5-13(18(11-14)23-3)6-10-17(20)16-9-8-15(22-2)12-19(16)24-4/h5,7-9,11-12H,6,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.57 kcal/mol

Physical Properties
Molecular Weight: 330.38 g/mol	logS: -3.6026	SlogP: 3.53647	Reactive groups: 0

Topological Properties
Globularity: 0.110182	Sterimol/B1: 2.6183	Sterimol/B2: 3.78152	Sterimol/B3: 6.90259
Sterimol/B4: 6.91226	Sterimol/L: 17.5236

Surface and Volume Properties
Accessible surface: 626.641	Positive charged surface: 493.301	Negative charged surface: 133.341	Volume: 324.125
Hydrophobic surface: 573.103	Hydrophilic surface: 53.538

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.