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MMsINC code: MMs00483103

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(C(C)(C)C)C(=O)N(C(C(O)=O)c1ccccc1)C

InChI:

InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5111 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.47931	SlogP: 2.7747	Reactive groups: 0

Topological Properties
Globularity: 0.130923	Sterimol/B1: 2.4474	Sterimol/B2: 4.02198	Sterimol/B3: 4.49557
Sterimol/B4: 5.59192	Sterimol/L: 13.6858

Surface and Volume Properties
Accessible surface: 499.176	Positive charged surface: 324.909	Negative charged surface: 174.267	Volume: 260.875
Hydrophobic surface: 356.678	Hydrophilic surface: 142.498

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00483104
BACHEM-ZINC02391142