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Chem Ritonavir 2 | Cheminformatics

Ritonavir


  • SKU Code: CH136964
Chemical Name - Ritonavir
Mol Weight - 720.957
Smiles - CC(C)[C@@H](C(N[C@H](C[C@@H]([C@H](Cc1ccccc1)NC(OCc1cncs1)=O)O)Cc1ccccc1)=O)NC(N(C)Cc1csc(C(C)C)n1)=O
Property Name Property Value
Mol NameRitonavir
Molweight720.957
Monoisotopic Mass720.312759
Clogp4.7152
Clogs-6.066
H Acceptors11
H Donors4
Total Surface Area561.32
Relative Psa0.29005
Polar Surface Area202.26
Druglikeness-7.147
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.46
Molecular Flexibility0.55106
Molecular Complexity0.84127
Fragments1
Non H Atoms50
Non Ch Atoms13
Electronegative Atoms13
Stereo Centers4
Rotatable Bonds18
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3 Atoms18
Symmetric Atoms6
Amides4
Aromatic Nitrogens2
SmilesCC(C)[C@@H](C(N[C@H](C[C@@H]([C@H](Cc1ccccc1)NC(OCc1cncs1)=O)O)Cc1ccccc1)=O)NC(N(C)Cc1csc(C(C)C)n1)=O
InChIKey
InChIC37H48N6O5S2

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1 - Ritonavir
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