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MMsINC code: MMs00314626

Type: Neutral
Formula: C₁₉H₂₄N₂O₅

SMILES:

O1CCN(CC1)CCN1C(C(C(=O)C)C(=O)C1=O)c1cc(OC)ccc1

InChI:

InChI=1/C19H24N2O5/c1-13(22)16-17(14-4-3-5-15(12-14)25-2)21(19(24)18(16)23)7-6-20-8-10-26-11-9-20/h3-5,12,16-17H,6-11H2,1-2H3/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.243 kcal/mol

Physical Properties
Molecular Weight: 360.41 g/mol	logS: -2.24015	SlogP: 0.7805	Reactive groups: 0

Topological Properties
Globularity: 0.112109	Sterimol/B1: 3.77523	Sterimol/B2: 3.8744	Sterimol/B3: 5.22523
Sterimol/B4: 7.63874	Sterimol/L: 14.4856

Surface and Volume Properties
Accessible surface: 575.757	Positive charged surface: 426.667	Negative charged surface: 149.09	Volume: 340.5
Hydrophobic surface: 446.123	Hydrophilic surface: 129.634

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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