MMsINC Database Search


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MMsINC code: MMs03400340

Type: Neutral
Formula: C₁₃H₂₆N₂O₄

SMILES:

O(CC(CC)(CC)COC(=O)N)C(=O)NCCCC

InChI:

InChI=1/C13H26N2O4/c1-4-7-8-15-12(17)19-10-13(5-2,6-3)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.7868 kcal/mol

Physical Properties
Molecular Weight: 274.361 g/mol	logS: -2.87526	SlogP: 2.4144	Reactive groups: 0

Topological Properties
Globularity: 0.0521083	Sterimol/B1: 2.60038	Sterimol/B2: 4.17327	Sterimol/B3: 4.87338
Sterimol/B4: 4.87412	Sterimol/L: 19.055

Surface and Volume Properties
Accessible surface: 564.572	Positive charged surface: 414.971	Negative charged surface: 149.601	Volume: 279.125
Hydrophobic surface: 334.1	Hydrophilic surface: 230.472

Pharmacophoric Properties
Hydrogen bond donors: 2	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.