78808 logo
canSAR78808
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)[C@H](C(=O)O)N2C(=O)[C@]3(C[C@@H]3OC3CCCCC3)[C@H]2S1(=O)=O
    InChI
    InChI=1S/C16H23NO6S/c1-15(2)11(12(18)19)17-13(20)16(14(17)24(15,21)22)8-10(16)23-9-6-4-3-5-7-9/h9-11,14H,3-8H2,1-2H3,(H,18,19)/t10-,11-,14+,16+/m0/s1
    MOLECULAR FORMULA
    C16H23NO6S
    CROSS REFERENCES
    78808 logo

    canSAR78808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.12
    AlogP 0.92
    HBond donors 1
    HBond acceptors 7
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR78808.