MMsINC Database Search


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

MMsINC code: MMs02263021

Type: Neutral
Formula: C₁₉H₂₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)\C=C\c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H22O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h6-12H,1-5H3/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.78 kcal/mol

Physical Properties
Molecular Weight: 330.38 g/mol	logS: -4.51096	SlogP: 3.9	Reactive groups: 0

Topological Properties
Globularity: 0.0156429	Sterimol/B1: 2.70509	Sterimol/B2: 2.8609	Sterimol/B3: 3.492
Sterimol/B4: 8.18526	Sterimol/L: 18.0382

Surface and Volume Properties
Accessible surface: 626.869	Positive charged surface: 503.489	Negative charged surface: 123.38	Volume: 326.75
Hydrophobic surface: 588.109	Hydrophilic surface: 38.76

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.