MMsINC Database Search


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MMsINC code: MMs01943279

Type: Neutral
Formula: C₁₆H₂₂N₂O₄

SMILES:

O(C)c1cc2[nH]c(cc2cc1)C(=O)N(CCOC)CCOC

InChI:

InChI=1/C16H22N2O4/c1-20-8-6-18(7-9-21-2)16(19)15-10-12-4-5-13(22-3)11-14(12)17-15/h4-5,10-11,17H,6-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.093 kcal/mol

Physical Properties
Molecular Weight: 306.362 g/mol	logS: -2.2035	SlogP: 1.9115	Reactive groups: 0

Topological Properties
Globularity: 0.0741151	Sterimol/B1: 2.49546	Sterimol/B2: 2.54893	Sterimol/B3: 4.2511
Sterimol/B4: 8.21173	Sterimol/L: 16.591

Surface and Volume Properties
Accessible surface: 560.793	Positive charged surface: 455.261	Negative charged surface: 100.375	Volume: 300.625
Hydrophobic surface: 519.238	Hydrophilic surface: 41.555

Pharmacophoric Properties
Hydrogen bond donors: 1	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.