MMsINC Database Search


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

MMsINC code: MMs01618400

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)N(CC(=O)Nc1cc(OC)ccc1)C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-26(16-23(27)25-19-11-8-12-20(15-19)29-2)24(28)17-30-22-14-7-6-13-21(22)18-9-4-3-5-10-18/h3-15H,16-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.899 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.97503	SlogP: 3.8381	Reactive groups: 0

Topological Properties
Globularity: 0.0778606	Sterimol/B1: 2.15336	Sterimol/B2: 3.76152	Sterimol/B3: 4.64809
Sterimol/B4: 9.71772	Sterimol/L: 20.4684

Surface and Volume Properties
Accessible surface: 716.017	Positive charged surface: 474.793	Negative charged surface: 237.422	Volume: 395.75
Hydrophobic surface: 638.983	Hydrophilic surface: 77.034

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.