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  1. ALA4877112

    Name:
    (E)-2-(2-(4-(3,4-dichlorophenyl)-5-(2-(4-(2-(2-(2,
    Show More

    Mol. Formula:
    C39H34Cl2N8O11S

    M.W.:
    893.72

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    268.70

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  2. ALA5284018

    Name:
    5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
    Show More

    Mol. Formula:
    C22H20F3N6O7+

    M.W.:
    537.43

    Type:
    ---

    AlogP:
    -1.31

    Polar Surface Area:
    196.67

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  3. ALA5283082

    Name:
    N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7
    Show More

    Mol. Formula:
    C23H25N3O3S

    M.W.:
    423.54

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    66.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA5282023

    Name:
    5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
    Show More

    Mol. Formula:
    C22H23N6O7+

    M.W.:
    483.46

    Type:
    ---

    AlogP:
    -2.02

    Polar Surface Area:
    196.67

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  5. ALA5280530

    Name:
    2-(5-(pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-y
    Show More

    Mol. Formula:
    C16H15N5OS

    M.W.:
    325.40

    Type:
    ---

    AlogP:
    2.22

    Polar Surface Area:
    86.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA5278209

    Name:
    N7-3-Chlorobenzyl-5'-deoxy-5'-(1,2-dioxo-3-hydroxy
    Show More

    Mol. Formula:
    C21H20ClN6O7+

    M.W.:
    503.88

    Type:
    ---

    AlogP:
    -1.67

    Polar Surface Area:
    196.67

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  7. ALA5289272

    Name:
    5-((5-(4-chlorophenylthio)furan-2-yl)methylene)-2-
    Show More

    Mol. Formula:
    C14H9ClN2O2S2

    M.W.:
    336.83

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    66.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  8. ALA5289039

    Name:
    2-(2-(5-(3,4-dichlorophenyl)thiazol-2-yl)hydrazine
    Show More

    Mol. Formula:
    C17H10Cl2N4O4S

    M.W.:
    437.26

    Type:
    ---

    AlogP:
    4.93

    Polar Surface Area:
    117.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA5288894

    Name:
    5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
    Show More

    Mol. Formula:
    C21H20FN6O7+

    M.W.:
    487.42

    Type:
    ---

    AlogP:
    -2.19

    Polar Surface Area:
    196.67

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA4790332

    Name:
    2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((((6-((2-(
    Show More

    Mol. Formula:
    C36H44N9O14P2+

    M.W.:
    888.74

    Type:
    Unknown

    AlogP:
    0.05

    Polar Surface Area:
    330.94

    HBA:
    15

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA4848695

    Name:
    (E/Z)-2-(2-(4-(3,4-dichlorophenyl)thiazol-2-yl)hyd
    Show More

    Cas Number:
    315706-13-9

    Mol. Formula:
    C18H12Cl2N4O4S

    M.W.:
    451.29

    Type:
    Unknown

    AlogP:
    5.12

    Polar Surface Area:
    117.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  12. ALA4757123

    Name:
    2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((((2-(2-(2
    Show More

    Mol. Formula:
    C39H50N9O17P2+

    M.W.:
    978.82

    Type:
    Unknown

    AlogP:
    -1.07

    Polar Surface Area:
    358.63

    HBA:
    18

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  13. ALA4777401

    Name:
    NA

    Mol. Formula:
    C79H128N24O18S2

    M.W.:
    1766.18

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4776772

    Name:
    2-Amino-7-benzyl-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-
    Show More

    Mol. Formula:
    C45H61N10O14P2S+

    M.W.:
    1060.05

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4776237

    Name:
    2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((6-((2-(2,
    Show More

    Mol. Formula:
    C36H43N9O11P+

    M.W.:
    808.77

    Type:
    Unknown

    AlogP:
    -0.07

    Polar Surface Area:
    284.41

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  16. ALA5277591

    Name:
    5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
    Show More

    Mol. Formula:
    C22H23N6O8+

    M.W.:
    499.46

    Type:
    ---

    AlogP:
    -2.32

    Polar Surface Area:
    205.90

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA5276591

    Name:
    5'-Deoxy-N7-methyl-5'-((1H-tetrazol-5-yl)methylcar
    Show More

    Mol. Formula:
    C14H19N10O5+

    M.W.:
    407.37

    Type:
    ---

    AlogP:
    -4.38

    Polar Surface Area:
    213.83

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  18. ALA5274466

    Name:
    3-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)(4-meth
    Show More

    Mol. Formula:
    C24H32N6O

    M.W.:
    420.56

    Type:
    ---

    AlogP:
    4.07

    Polar Surface Area:
    79.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  19. ALA5271529

    Name:
    5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
    Show More

    Mol. Formula:
    C24H27N6O7+

    M.W.:
    511.52

    Type:
    ---

    AlogP:
    -1.20

    Polar Surface Area:
    196.67

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA5270160

    Name:
    N7-Benzyl-5'-deoxy-5'-((1H-tetrazol-5-yl)methylcar
    Show More

    Mol. Formula:
    C20H23N10O5+

    M.W.:
    483.47

    Type:
    ---

    AlogP:
    -2.87

    Polar Surface Area:
    213.83

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
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