MMsINC Database Search


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MMsINC code: MMs01465639

Type: Neutral
Formula: C₁₉H₂₂N₂O₅

SMILES:

O(CC)c1ccc(NC(=O)COC(=O)c2[nH]c(C)c(C(=O)C)c2C)cc1

InChI:

InChI=1/C19H22N2O5/c1-5-25-15-8-6-14(7-9-15)21-16(23)10-26-19(24)18-11(2)17(13(4)22)12(3)20-18/h6-9,20H,5,10H2,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6899 kcal/mol

Physical Properties
Molecular Weight: 358.394 g/mol	logS: -3.5229	SlogP: 3.02834	Reactive groups: 0

Topological Properties
Globularity: 0.0150244	Sterimol/B1: 3.13426	Sterimol/B2: 3.27271	Sterimol/B3: 3.52526
Sterimol/B4: 5.76898	Sterimol/L: 22.2326

Surface and Volume Properties
Accessible surface: 673.592	Positive charged surface: 423.362	Negative charged surface: 250.23	Volume: 342.5
Hydrophobic surface: 496.651	Hydrophilic surface: 176.941

Pharmacophoric Properties
Hydrogen bond donors: 2	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.