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MMsINC code: MMs00482636

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(Cc1ccccc1)C(=O)CC(NC(OCc1ccccc1)=O)C(O)=O

InChI:

InChI=1/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3656 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -3.66166	SlogP: 3.0323	Reactive groups: 1

Topological Properties
Globularity: 0.0462805	Sterimol/B1: 2.94843	Sterimol/B2: 3.60262	Sterimol/B3: 3.98066
Sterimol/B4: 9.13011	Sterimol/L: 18.8153

Surface and Volume Properties
Accessible surface: 665.133	Positive charged surface: 381.101	Negative charged surface: 284.032	Volume: 334.75
Hydrophobic surface: 486.273	Hydrophilic surface: 178.86

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00482637
BACHEM-ZINC01845191