MMsINC Database Search


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MMsINC code: MMs02322350

Type: Neutral
Formula: C₁₃H₂₆N₂O₄

SMILES:

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

InChI:

InChI=1/C13H26N2O4/c1-7-18-11(16)14-9-13(5,6)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)=36.8913 kcal/mol

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

Topological Properties
Globularity: 0.124063	Sterimol/B1: 2.67765	Sterimol/B2: 2.84466	Sterimol/B3: 4.91883
Sterimol/B4: 7.25591	Sterimol/L: 15.6024

Surface and Volume Properties
Accessible surface: 530.511	Positive charged surface: 376.956	Negative charged surface: 153.555	Volume: 281.25
Hydrophobic surface: 361.332	Hydrophilic surface: 169.179

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.