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MMsINC code: MMs01672380

Type: Neutral
Formula: C₁₇H₂₂N₂O₄

SMILES:

O=C1N(CC(OC(C)(C)C)=O)C(=O)NC1CCc1ccccc1

InChI:

InChI=1/C17H22N2O4/c1-17(2,3)23-14(20)11-19-15(21)13(18-16(19)22)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0664 kcal/mol

Physical Properties
Molecular Weight: 318.373 g/mol	logS: -3.45543	SlogP: 1.88127	Reactive groups: 1

Topological Properties
Globularity: 0.0855689	Sterimol/B1: 2.51123	Sterimol/B2: 3.5392	Sterimol/B3: 5.29887
Sterimol/B4: 5.8511	Sterimol/L: 16.0381

Surface and Volume Properties
Accessible surface: 589.915	Positive charged surface: 369.258	Negative charged surface: 220.657	Volume: 308.875
Hydrophobic surface: 410.989	Hydrophilic surface: 178.926

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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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Ions/Tautomers related molecules: no related molecules available.