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MMsINC code: MMs00349355

Type: Neutral
Formula: C₁₉H₂₆N₂O₄

SMILES:

O=C1C(C(=O)C)C(N(CCNCCO)C1=O)c1ccc(cc1)C(C)C

InChI:

InChI=1/C19H26N2O4/c1-12(2)14-4-6-15(7-5-14)17-16(13(3)23)18(24)19(25)21(17)10-8-20-9-11-22/h4-7,12,16-17,20,22H,8-11H2,1-3H3/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6626 kcal/mol

Physical Properties
Molecular Weight: 346.427 g/mol	logS: -3.06916	SlogP: 1.145	Reactive groups: 0

Topological Properties
Globularity: 0.120392	Sterimol/B1: 2.18447	Sterimol/B2: 4.13268	Sterimol/B3: 4.44825
Sterimol/B4: 10.9797	Sterimol/L: 16.1239

Surface and Volume Properties
Accessible surface: 639.426	Positive charged surface: 426.634	Negative charged surface: 212.792	Volume: 346
Hydrophobic surface: 426.24	Hydrophilic surface: 213.186

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