MMsINC Database Search


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

MMsINC code: MMs01524971

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(=O)NCc1ccccc1OC

InChI:

InChI=1/C19H23NO5/c1-22-15-8-6-5-7-14(15)12-20-18(21)11-13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10H,11-12H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.732 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.5619	SlogP: 2.84627	Reactive groups: 0

Topological Properties
Globularity: 0.0278151	Sterimol/B1: 3.01889	Sterimol/B2: 3.2641	Sterimol/B3: 3.32894
Sterimol/B4: 8.54228	Sterimol/L: 18.472

Surface and Volume Properties
Accessible surface: 653.022	Positive charged surface: 526.787	Negative charged surface: 126.236	Volume: 339.125
Hydrophobic surface: 585.414	Hydrophilic surface: 67.608

Pharmacophoric Properties
Hydrogen bond donors: 1	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.