MMsINC Database Search


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MMsINC code: MMs00692048

Type: Neutral
Formula: C₁₆H₂₀N₂O₄

SMILES:

O1CCN(CC1)C(=O)c1ccccc1C(=O)N1CCOCC1

InChI:

InChI=1/C16H20N2O4/c19-15(17-5-9-21-10-6-17)13-3-1-2-4-14(13)16(20)18-7-11-22-12-8-18/h1-4H,5-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.131 kcal/mol

Physical Properties
Molecular Weight: 304.346 g/mol	logS: -2.04812	SlogP: 0.6314	Reactive groups: 0

Topological Properties
Globularity: 0.107788	Sterimol/B1: 2.42678	Sterimol/B2: 3.07301	Sterimol/B3: 3.77255
Sterimol/B4: 8.10136	Sterimol/L: 13.2397

Surface and Volume Properties
Accessible surface: 517.981	Positive charged surface: 407.043	Negative charged surface: 110.938	Volume: 285.5
Hydrophobic surface: 451.776	Hydrophilic surface: 66.205

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.