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  1. ALA5270866

    Name:
    Ansatrienol E

    Mol. Formula:
    C27H34N2O5S

    M.W.:
    498.65

    Type:
    ---

    AlogP:
    4.65

    Polar Surface Area:
    111.91

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  2. ALA5268524

    Name:
    Ansatrienol C

    Mol. Formula:
    C26H33NO6

    M.W.:
    455.55

    Type:
    ---

    AlogP:
    3.03

    Polar Surface Area:
    99.46

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA5280914

    Name:
    5-methoxy-N-(3-methoxy-4-(2-(pyridin-4-yl)ethoxy)phenyl)-2,2-dimethyl-2H-chShow More

    Mol. Formula:
    C27H28N2O5

    M.W.:
    460.53

    Type:
    ---

    AlogP:
    5.16

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. ALA5278661

    Name:
    Ansatrienol F

    Mol. Formula:
    C27H34N2O6S

    M.W.:
    514.64

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    139.12

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA5272724

    Name:
    Ansatrienol B

    Mol. Formula:
    C26H33NO6

    M.W.:
    455.55

    Type:
    ---

    AlogP:
    3.03

    Polar Surface Area:
    99.46

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA5285767

    Name:
    5-methoxy-N-(3-methoxy-4-(2-(pyridin-3-yl)ethoxy)phenyl)-2,2-dimethyl-2H-chShow More

    Mol. Formula:
    C27H28N2O5

    M.W.:
    460.53

    Type:
    ---

    AlogP:
    5.16

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA5284696

    Name:
    N-(p-tolylcarbamoselenoyl)benzo[d][1,3]dioxole-5-carboxamide

    Mol. Formula:
    C16H14N2O3Se

    M.W.:
    361.26

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5288274

    Name:
    Thiazinotrienomycinol E

    Mol. Formula:
    C26H31NO6S

    M.W.:
    485.60

    Type:
    ---

    AlogP:
    2.92

    Polar Surface Area:
    101.93

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. ALA5287995

    Name:
    Ansatrienol G

    Mol. Formula:
    C25H33NO5

    M.W.:
    427.54

    Type:
    ---

    AlogP:
    3.39

    Polar Surface Area:
    110.02

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA5219815

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((4,6-dimethyl-1H-pyrShow More

    Mol. Formula:
    C19H20N6OS

    M.W.:
    380.48

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    106.49

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  11. ALA5267617

    Name:
    Ansatrienol H

    Mol. Formula:
    C25H35NO6

    M.W.:
    445.56

    Type:
    ---

    AlogP:
    2.44

    Polar Surface Area:
    130.25

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA5221067

    Name:
    2-((1H-pyrazolo[3,4-b]pyridin-3-yl)amino)-N-(3-cyano-4,5,6,7-tetrahydrobenzShow More

    Mol. Formula:
    C17H16N6OS

    M.W.:
    352.42

    Type:
    ---

    AlogP:
    2.82

    Polar Surface Area:
    106.49

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA5220987

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(2-(3-nitrobenzylidenShow More

    Mol. Formula:
    C18H17N5O3S

    M.W.:
    383.43

    Type:
    ---

    AlogP:
    2.97

    Polar Surface Area:
    120.42

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA5218897

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(isoxazolo[3,4-b]pyriShow More

    Mol. Formula:
    C17H15N5O2S

    M.W.:
    353.41

    Type:
    ---

    AlogP:
    3.09

    Polar Surface Area:
    103.84

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA5218755

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(2-(4-methoxybenzylidShow More

    Mol. Formula:
    C19H20N4O2S

    M.W.:
    368.46

    Type:
    ---

    AlogP:
    3.07

    Polar Surface Area:
    86.51

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA5204322

    Name:
    4-(2,6-dichlorophenyl)-8-((4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)phenyl)Show More

    Mol. Formula:
    C28H29Cl2N7O

    M.W.:
    550.49

    Type:
    ---

    AlogP:
    5.50

    Polar Surface Area:
    67.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA5180370

    Name:
    1-(9-ethyl-9H-carbazol-3-yl)-3-(2-(4-(furan-2-carbonyl)piperazin-1-yl)ethylShow More

    Mol. Formula:
    C26H29N5O3

    M.W.:
    459.55

    Type:
    ---

    AlogP:
    3.99

    Polar Surface Area:
    82.75

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA5176563

    Name:
    4-(2-chlorophenyl)-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2,4-dihydroiShow More

    Mol. Formula:
    C26H26ClN7O

    M.W.:
    488.00

    Type:
    ---

    AlogP:
    4.07

    Polar Surface Area:
    67.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA5173238

    Name:
    N-((9H-pyrido[3,4-b]indol-1-yl)methyl)-2-(2-(((4a,9a-dihydro-9H-pyrido[3,4-Show More

    Mol. Formula:
    C28H30N6O

    M.W.:
    466.59

    Type:
    ---

    AlogP:
    3.96

    Polar Surface Area:
    86.36

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  20. ALA5171537

    Name:

    Mol. Formula:
    C72H92N8O5

    M.W.:
    1149.58

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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