MMsINC Database Search


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

MMsINC code: MMs02815720

Type: Neutral
Formula: C₂₀H₂₁NO₅

SMILES:

O(C)c1c(OC)cc(cc1OC)-c1c2cc(OC)c(OC)cc2ncc1

InChI:

InChI=1/C20H21NO5/c1-22-16-10-14-13(6-7-21-15(14)11-17(16)23-2)12-8-18(24-3)20(26-5)19(9-12)25-4/h6-11H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.286 kcal/mol

Physical Properties
Molecular Weight: 355.39 g/mol	logS: -4.6517	SlogP: 3.9448	Reactive groups: 0

Topological Properties
Globularity: 0.104532	Sterimol/B1: 2.14617	Sterimol/B2: 2.94512	Sterimol/B3: 5.48846
Sterimol/B4: 8.48444	Sterimol/L: 16.6855

Surface and Volume Properties
Accessible surface: 602.883	Positive charged surface: 498.988	Negative charged surface: 95.876	Volume: 338.25
Hydrophobic surface: 542.999	Hydrophilic surface: 59.884

Pharmacophoric Properties
Hydrogen bond donors: 0	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.