MMsINC Database Search


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MMsINC code: MMs01489247

Type: Neutral
Formula: C₁₉H₁₉NO₆

SMILES:

O(C)c1cc(OC)ccc1C(=O)COC(=O)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H19NO6/c1-12(21)20-14-6-4-5-13(9-14)19(23)26-11-17(22)16-8-7-15(24-2)10-18(16)25-3/h4-10H,11H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.561 kcal/mol

Physical Properties
Molecular Weight: 357.362 g/mol	logS: -4.17607	SlogP: 2.7019	Reactive groups: 0

Topological Properties
Globularity: 0.00686845	Sterimol/B1: 2.5614	Sterimol/B2: 2.60863	Sterimol/B3: 2.68235
Sterimol/B4: 7.88832	Sterimol/L: 20.0112

Surface and Volume Properties
Accessible surface: 634.655	Positive charged surface: 429.01	Negative charged surface: 205.645	Volume: 331
Hydrophobic surface: 500.309	Hydrophilic surface: 134.346

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