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MMsINC code: MMs00483135

Type: Neutral
Formula: C₁₄H₁₉NO₅

SMILES:

O(C(C)(C)C)C(=O)NC(C(O)C(O)=O)c1ccccc1

InChI:

InChI=1/C14H19NO5/c1-14(2,3)20-13(19)15-10(11(16)12(17)18)9-7-5-4-6-8-9/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18)/t10-,11+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5432 kcal/mol

Physical Properties
Molecular Weight: 281.308 g/mol	logS: -2.38276	SlogP: 1.7934	Reactive groups: 0

Topological Properties
Globularity: 0.101713	Sterimol/B1: 2.84738	Sterimol/B2: 3.95252	Sterimol/B3: 4.36421
Sterimol/B4: 5.15447	Sterimol/L: 14.218

Surface and Volume Properties
Accessible surface: 505.212	Positive charged surface: 311.259	Negative charged surface: 193.953	Volume: 266.125
Hydrophobic surface: 314.557	Hydrophilic surface: 190.655

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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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Ions/Tautomers related molecules

MMs00483136
BACHEM-ZINC02392276