MMsINC Database Search


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

MMsINC code: MMs03904845

Type: Neutral
Formula: C₁₈H₂₆N₂O₅

SMILES:

O(C(C)(C)C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(OC)=O)C

InChI:

InChI=1/C18H26N2O5/c1-12(19-17(23)25-18(2,3)4)15(21)20-14(16(22)24-5)11-13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3,(H,19,23)(H,20,21)/t12-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9607 kcal/mol

Physical Properties
Molecular Weight: 350.415 g/mol	logS: -3.55888	SlogP: 1.80007	Reactive groups: 0

Topological Properties
Globularity: 0.085478	Sterimol/B1: 2.13106	Sterimol/B2: 4.50863	Sterimol/B3: 5.79647
Sterimol/B4: 8.34205	Sterimol/L: 16.1878

Surface and Volume Properties
Accessible surface: 651.963	Positive charged surface: 437.604	Negative charged surface: 214.359	Volume: 345.625
Hydrophobic surface: 485.532	Hydrophilic surface: 166.431

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.