MMsINC Database Search


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MMsINC code: MMs02279323

Type: Neutral
Formula: C₁₃H₂₆N₂O₄

SMILES:

O(CC)C(=O)N(C(C)C)CC(NC(OCC)=O)(C)C

InChI:

InChI=1/C13H26N2O4/c1-7-18-11(16)14-13(5,6)9-15(10(3)4)12(17)19-8-2/h10H,7-9H2,1-6H3,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6477 kcal/mol

Physical Properties
Molecular Weight: 274.361 g/mol	logS: -1.94659	SlogP: 2.378	Reactive groups: 0

Topological Properties
Globularity: 0.178201	Sterimol/B1: 2.32368	Sterimol/B2: 3.42444	Sterimol/B3: 4.90425
Sterimol/B4: 7.69008	Sterimol/L: 14.9327

Surface and Volume Properties
Accessible surface: 532.064	Positive charged surface: 387.436	Negative charged surface: 144.627	Volume: 282.5
Hydrophobic surface: 371.083	Hydrophilic surface: 160.981

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.