MMsINC Database Search


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

MMsINC code: MMs00350850

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)CCC

InChI:

InChI=1/C23H26N2O5/c1-5-10-25(14-17-11-15-8-6-7-9-18(15)24-22(17)26)23(27)16-12-19(28-2)21(30-4)20(13-16)29-3/h6-9,11-13H,5,10,14H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.423 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.73938	SlogP: 3.6003	Reactive groups: 0

Topological Properties
Globularity: 0.239405	Sterimol/B1: 2.23498	Sterimol/B2: 4.95822	Sterimol/B3: 5.65645
Sterimol/B4: 9.38975	Sterimol/L: 16.1674

Surface and Volume Properties
Accessible surface: 682.752	Positive charged surface: 500.557	Negative charged surface: 182.195	Volume: 392.75
Hydrophobic surface: 555.897	Hydrophilic surface: 126.855

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.