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MMsINC code: MMs01899269

Type: Neutral
Formula: C₁₆H₁₉NO₄

SMILES:

O1C(C)(C)C(OC1=C\C=N\c1ccc(cc1)C(O)=O)(C)C

InChI:

InChI=1/C16H19NO4/c1-15(2)16(3,4)21-13(20-15)9-10-17-12-7-5-11(6-8-12)14(18)19/h5-10H,1-4H3,(H,18,19)/b17-10+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3196 kcal/mol

Physical Properties
Molecular Weight: 289.331 g/mol	logS: -3.63785	SlogP: 3.5325	Reactive groups: 0

Topological Properties
Globularity: 0.0627009	Sterimol/B1: 2.30783	Sterimol/B2: 3.28226	Sterimol/B3: 3.75402
Sterimol/B4: 6.29744	Sterimol/L: 16.449

Surface and Volume Properties
Accessible surface: 535.48	Positive charged surface: 321.864	Negative charged surface: 213.615	Volume: 280.375
Hydrophobic surface: 338.117	Hydrophilic surface: 197.363

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs01899270
IBS-ZINC04828348