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Chem Vildagliptin | Cheminformatics

Vildagliptin


  • SKU Code: CH136901
Chemical Name - Vildagliptin
Mol Weight - 303.405
Smiles - N#C[C@H](CCC1)N1C(CNC(CC(C1)C2)(CC1C1)CC12O)=O
Property Name Property Value
Mol NameVildagliptin
Molweight303.405
Monoisotopic Mass303.194677
Clogp0.5612
Clogs-2.671
H Acceptors5
H Donors2
Total Surface Area222.99
Relative Psa0.24535
Polar Surface Area76.36
Druglikeness0.65935
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.44369
Molecular Complexity0.7679
Fragments1
Non H Atoms22
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers3
Rotatable Bonds3
Rings Closures4
Small Rings5
Sp3 Atoms17
Symmetric Atoms3
Amides1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesN#C[C@H](CCC1)N1C(CNC(CC(C1)C2)(CC1C1)CC12O)=O
InChIKey
InChIC17H25N3O2

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