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Chem Desmopressin | Cheminformatics

Desmopressin


  • SKU Code: CH136968
Chemical Name - Desmopressin
Mol Weight - 1069.23
Smiles - NC(CCC(C(NC(CC(N)=O)C(NC(CSSCCC(NC(Cc(cc1)ccc1O)C(NC1Cc2ccccc2)=O)=O)C(N(CCC2)C2C(NC(CCCN=C(N)N)C(NCC(N)=O)=O)=O)=O)=O)=O)NC1=O)=O
Property Name Property Value
Mol NameDesmopressin
Molweight1069.23
Monoisotopic Mass1068.42696
Clogp-4.3088
Clogs-5.057
H Acceptors26
H Donors13
Total Surface Area792.59
Relative Psa0.45818
Polar Surface Area488.51
Druglikeness9.2548
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.36486
Molecular Flexibility0.46847
Molecular Complexity0.93789
Fragments1
Non H Atoms74
Non Ch Atoms28
Electronegative Atoms28
Stereo Centers7
Rotatable Bonds19
Rings Closures4
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms25
Symmetric Atoms5
Amides11
Basic Nitrogens1
SmilesNC(CCC(C(NC(CC(N)=O)C(NC(CSSCCC(NC(Cc(cc1)ccc1O)C(NC1Cc2ccccc2)=O)=O)C(N(CCC2)C2C(NC(CCCN=C(N)N)C(NCC(N)=O)=O)=O)=O)=O)=O)NC1=O)=O
InChIKey
InChIC46H64N14O12S2

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