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MMsINC code: MMs00418137

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

O1c2cc(C(=O)C)c(NC(=O)CN3CCCCCCC3)cc2OC1

InChI:

InChI=1/C18H24N2O4/c1-13(21)14-9-16-17(24-12-23-16)10-15(14)19-18(22)11-20-7-5-3-2-4-6-8-20/h9-10H,2-8,11-12H2,1H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.383 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -3.22337	SlogP: 2.8225	Reactive groups: 0

Topological Properties
Globularity: 0.0710631	Sterimol/B1: 2.56543	Sterimol/B2: 3.78087	Sterimol/B3: 3.81056
Sterimol/B4: 8.80632	Sterimol/L: 14.4236

Surface and Volume Properties
Accessible surface: 570.35	Positive charged surface: 430.069	Negative charged surface: 140.281	Volume: 318.125
Hydrophobic surface: 465.567	Hydrophilic surface: 104.783

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs00418138
ASINEX-ZINC04969072