MMsINC Database Search


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

MMsINC code: MMs01364465

Type: Neutral
Formula: C₁₉H₂₀N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(=O)N1CC(=O)Nc2c1cccc2

InChI:

InChI=1/C19H20N2O5/c1-24-15-8-12(9-16(25-2)19(15)26-3)10-18(23)21-11-17(22)20-13-6-4-5-7-14(13)21/h4-9H,10-11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.622 kcal/mol

Physical Properties
Molecular Weight: 356.378 g/mol	logS: -3.81242	SlogP: 2.24017	Reactive groups: 0

Topological Properties
Globularity: 0.131101	Sterimol/B1: 2.36566	Sterimol/B2: 4.10091	Sterimol/B3: 5.13566
Sterimol/B4: 9.24778	Sterimol/L: 16.7025

Surface and Volume Properties
Accessible surface: 612.913	Positive charged surface: 458.562	Negative charged surface: 154.351	Volume: 330.75
Hydrophobic surface: 495.143	Hydrophilic surface: 117.77

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.