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MMsINC code: MMs00070410

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O1CCN(CC1)CCCN1C(C(C(=O)C)=C(O)C1=O)c1ccccc1

InChI:

InChI=1/C19H24N2O4/c1-14(22)16-17(15-6-3-2-4-7-15)21(19(24)18(16)23)9-5-8-20-10-12-25-13-11-20/h2-4,6-7,17,23H,5,8-13H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.185 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -2.4932	SlogP: 1.7888	Reactive groups: 1

Topological Properties
Globularity: 0.100872	Sterimol/B1: 2.93331	Sterimol/B2: 4.49643	Sterimol/B3: 5.04068
Sterimol/B4: 5.69324	Sterimol/L: 16.4722

Surface and Volume Properties
Accessible surface: 572.065	Positive charged surface: 426.835	Negative charged surface: 145.23	Volume: 332.625
Hydrophobic surface: 455.595	Hydrophilic surface: 116.47

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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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