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  1. ALA5270245

    Name:
    N-(4-boronobenzyl)-2-chloro-N-(2-chloroethyl)-N-methylethan-1-aminium BromiShow More

    Mol. Formula:
    C12H19BBrCl2NO2

    M.W.:
    370.91

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5273374

    Name:
    2-chloro-N-(2-chloroethyl)-N-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaboShow More

    Mol. Formula:
    C18H29BBrCl2NO2

    M.W.:
    453.06

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5273303

    Name:
    2-(2,6-bis(bromomethyl)-3,4,5-trimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dShow More

    Mol. Formula:
    C17H25BBr2O5

    M.W.:
    480.00

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5285441

    Name:
    4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl (4-(bis(2-chloroethylShow More

    Mol. Formula:
    C24H31BCl2N2O4

    M.W.:
    493.24

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5284195

    Name:
    2-(2,6-bis(bromomethyl)-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxShow More

    Mol. Formula:
    C16H23BBr2O4

    M.W.:
    449.98

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5283254

    Name:
    (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-phenylene)bis(methylenShow More

    Mol. Formula:
    C18H25BO6

    M.W.:
    348.20

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5291213

    Name:
    (5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-phenylene)biShow More

    Mol. Formula:
    C18H25BO7

    M.W.:
    364.20

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5287767

    Name:
    (5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-phenylene)biShow More

    Mol. Formula:
    C19H27BO7

    M.W.:
    378.23

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5179793

    Name:
    4-{[(3-{[3-(dimethylamino)propyl]amino}-6-nitroquinoxalin-2-yl)amino]methylShow More

    Mol. Formula:
    C21H23N7O2

    M.W.:
    405.46

    Type:
    ---

    AlogP:
    3.39

    Polar Surface Area:
    120.01

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4877572

    Name:
    2-((E)-4-Cyanostyryl)-1-methyl-4-((Z)-(3-(3-morpholinopropyl)benzo[d]thiazoShow More

    Mol. Formula:
    C34H33IN4OS

    M.W.:
    672.64

    Type:
    Unknown

    AlogP:
    6.34

    Polar Surface Area:
    43.38

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  11. ALA4868673

    Name:
    2-((E)-4-Cyanostyryl)-1-methyl-4-((Z)-(3-(3-(4-methylpiperidin-1-yl)propyl)Show More

    Mol. Formula:
    C36H37IN4S

    M.W.:
    684.69

    Type:
    Unknown

    AlogP:
    7.74

    Polar Surface Area:
    34.15

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA4865626

    Name:
    2-((E)-4-Hydroxystyryl)-1-methyl-4-((Z)-(3-(3-(4-methylpiperidin-1-yl)propyShow More

    Mol. Formula:
    C35H38IN3OS

    M.W.:
    675.68

    Type:
    Unknown

    AlogP:
    7.57

    Polar Surface Area:
    30.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  13. ALA4863166

    Name:
    2-((E)-4-(Diphenylamino)styryl)-1-methyl-4-((Z)-(3-(3-morpholinopropyl)benzShow More

    Mol. Formula:
    C45H43IN4OS

    M.W.:
    814.84

    Type:
    Unknown

    AlogP:
    9.94

    Polar Surface Area:
    22.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA4860686

    Name:
    2-((E)-4-Hydroxystyryl)-1-methyl-4-((Z)-(3-(3-morpholinopropyl)benzo[d]thiaShow More

    Mol. Formula:
    C33H34IN3O2S

    M.W.:
    663.63

    Type:
    Unknown

    AlogP:
    6.17

    Polar Surface Area:
    39.82

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA4854587

    Name:
    2-((E)-4-(Diphenylamino)styryl)-1-methyl-4-((Z)-(3-(3-(4-methylpiperidin-1-Show More

    Mol. Formula:
    C47H47IN4S

    M.W.:
    826.89

    Type:
    Unknown

    AlogP:
    11.34

    Polar Surface Area:
    13.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA4849106

    Name:
    1-Methyl-4-((Z)-(3-(3-(4-methylpiperidin-1-yl)-propyl)benzo[d]thiazol-2(3H)Show More

    Mol. Formula:
    C36H40IN3S2

    M.W.:
    705.78

    Type:
    Unknown

    AlogP:
    8.59

    Polar Surface Area:
    10.36

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  17. ALA4793179

    Name:
    3-methyl-5-(p-tolyl)-7-[2-(p-tolyl)vinyl]-5H-thiazolo[3,2-a]pyrimidine

    Mol. Formula:
    C23H22N2S

    M.W.:
    358.51

    Type:
    Unknown

    AlogP:
    6.22

    Polar Surface Area:
    15.60

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA4792094

    Name:
    2-methyl-5-(2-thienyl)-7-[2-(2-thienyl)vinyl]-5H-thiazolo[3,2-a]pyrimidine

    Mol. Formula:
    C17H14N2S3

    M.W.:
    342.51

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    15.60

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA4790526

    Name:
    5-(3,4-dimethoxyphenyl)-7-[2-(3,4-dimethoxyphenyl)vinyl]-2-methyl-5H-thiazoShow More

    Mol. Formula:
    C25H26N2O4S

    M.W.:
    450.56

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    52.52

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA4781046

    Name:
    5-(p-tolyl)-7-[2-(p-tolyl)vinyl]-5H-thiazolo[3,2-a]pyrimidine

    Mol. Formula:
    C22H20N2S

    M.W.:
    344.48

    Type:
    Unknown

    AlogP:
    5.83

    Polar Surface Area:
    15.60

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
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