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MMsINC code: MMs02525854

Type: Neutral
Formula: C₁₄H₂₂N₂O₅

SMILES:

O(C(=O)NCC(=O)N1CCCC1C(O)=O)C1CCCCC1

InChI:

InChI=1/C14H22N2O5/c17-12(16-8-4-7-11(16)13(18)19)9-15-14(20)21-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,15,20)(H,18,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.7152 kcal/mol

Physical Properties
Molecular Weight: 298.339 g/mol	logS: -1.92587	SlogP: 1.1209	Reactive groups: 0

Topological Properties
Globularity: 0.0323152	Sterimol/B1: 3.06387	Sterimol/B2: 3.48292	Sterimol/B3: 3.78283
Sterimol/B4: 4.83876	Sterimol/L: 17.2297

Surface and Volume Properties
Accessible surface: 552.55	Positive charged surface: 406.793	Negative charged surface: 145.757	Volume: 279.875
Hydrophobic surface: 382.667	Hydrophilic surface: 169.883

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02525855
NIH-ZINC03648038