MMsINC Database Search


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

MMsINC code: MMs01600352

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C)c1ccccc1CN(C(=O)COC(=O)c1c2c(nc(CC)c1C)cccc2)C

InChI:

InChI=1/C24H26N2O4/c1-5-19-16(2)23(18-11-7-8-12-20(18)25-19)24(28)30-15-22(27)26(3)14-17-10-6-9-13-21(17)29-4/h6-13H,5,14-15H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.688 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -4.91564	SlogP: 4.19599	Reactive groups: 0

Topological Properties
Globularity: 0.0782737	Sterimol/B1: 2.51544	Sterimol/B2: 3.76818	Sterimol/B3: 4.56284
Sterimol/B4: 9.54434	Sterimol/L: 18.0281

Surface and Volume Properties
Accessible surface: 712.371	Positive charged surface: 466.623	Negative charged surface: 240.57	Volume: 401.625
Hydrophobic surface: 608.703	Hydrophilic surface: 103.668

Pharmacophoric Properties
Hydrogen bond donors: 0	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.