MMsINC Database Search


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MMsINC code: MMs01565521

Type: Neutral
Formula: C₁₉H₁₉NO₅

SMILES:

O(CC)c1ccc(cc1)C(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H19NO5/c1-3-24-17-9-7-14(8-10-17)18(22)12-25-19(23)15-5-4-6-16(11-15)20-13(2)21/h4-11H,3,12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5907 kcal/mol

Physical Properties
Molecular Weight: 341.363 g/mol	logS: -4.4529	SlogP: 3.0834	Reactive groups: 0

Topological Properties
Globularity: 0.00595042	Sterimol/B1: 2.43409	Sterimol/B2: 2.74204	Sterimol/B3: 3.52204
Sterimol/B4: 6.67699	Sterimol/L: 20.8543

Surface and Volume Properties
Accessible surface: 645.575	Positive charged surface: 387.323	Negative charged surface: 258.253	Volume: 324.875
Hydrophobic surface: 489.83	Hydrophilic surface: 155.745

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.