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  1. ALA5275790

    Name:
    1-(4-hydroxy-3-methylphenyl)-3-(4-(piperidin-1-yl)phenyl)prop-2-en-1-one

    Mol. Formula:
    C21H23NO2

    M.W.:
    321.42

    Type:
    ---

    AlogP:
    4.59

    Polar Surface Area:
    40.54

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA5283656

    Name:
    1-(4-hydroxy-3-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

    Mol. Formula:
    C17H16O3

    M.W.:
    268.31

    Type:
    ---

    AlogP:
    3.61

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA5267520

    Name:
    3-(3-bromo-4-methoxyphenyl)-1-(4-hydroxy-3-methylphenyl)prop-2-en-1-one

    Mol. Formula:
    C17H15BrO3

    M.W.:
    347.21

    Type:
    ---

    AlogP:
    4.37

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA5266993

    Name:
    3-(4-chlorophenyl)-1-(4-hydroxy-3-methylphenyl)prop-2-en-1-one

    Mol. Formula:
    C16H13ClO2

    M.W.:
    272.73

    Type:
    ---

    AlogP:
    4.25

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA4875550

    Name:
    Acremodiol C

    Mol. Formula:
    C14H22O6

    M.W.:
    286.32

    Type:
    Unknown

    AlogP:
    0.70

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA4847334

    Name:
    Dihydroacremonol

    Mol. Formula:
    C14H20O6

    M.W.:
    284.31

    Type:
    Unknown

    AlogP:
    0.91

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA4590873

    Name:
    [2-(4-Fluoro-phenyl)-ethyl]-(4-methoxy-2-oxa-tricyclo[13.3.1.1(3,7)]icosa-1Show More

    Mol. Formula:
    C28H32FNO2

    M.W.:
    433.57

    Type:
    Unknown

    AlogP:
    6.49

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA4588545

    Name:
    [2-(4-Fluoro-phenyl)-ethyl]-(4-methoxy-2-oxa-tricyclo[13.2.2.1(3,7)]icosa-1Show More

    Mol. Formula:
    C28H32FNO2

    M.W.:
    433.57

    Type:
    Unknown

    AlogP:
    6.49

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4581623

    Name:
    N-(4,18-Dimethoxy-2-oxa-tricyclo[13.3.1.1(3,7)]icosa-1(19),3,5,7(20),15,17-Show More

    Mol. Formula:
    C30H35NO4

    M.W.:
    473.61

    Type:
    Unknown

    AlogP:
    6.27

    Polar Surface Area:
    56.79

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA4560233

    Name:
    (4,16-Dimethoxy-2-oxa-tricyclo[11.3.1.1(3,7)]octadeca-1(16),3(18),4,6,13(17Show More

    Mol. Formula:
    C27H30FNO3

    M.W.:
    435.54

    Type:
    Unknown

    AlogP:
    5.71

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  11. ALA4553332

    Name:
    (4,18-Dimethoxy-2-oxa-tricyclo[13.2.2.1(3,7)]icosa-1(18),3(20),4,6,15(19),1Show More

    Mol. Formula:
    C29H34FNO3

    M.W.:
    463.59

    Type:
    Unknown

    AlogP:
    6.50

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  12. ALA4522995

    Name:
    3-Phenyl-propionic acid 4,18-dimethoxy-2-oxa-tricyclo[13.3.1.1(3,7)]icosa-1Show More

    Mol. Formula:
    C30H34O5

    M.W.:
    474.60

    Type:
    Unknown

    AlogP:
    6.70

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA4522592

    Name:
    (E)-N-(4,18-Dimethoxy-2-oxa-tricyclo[13.3.1.1(3,7)]icosa-1(19),3,5,7(20),15Show More

    Mol. Formula:
    C30H32FNO4

    M.W.:
    489.59

    Type:
    Unknown

    AlogP:
    6.49

    Polar Surface Area:
    56.79

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA4104865

    Name:
    (4S)-8-amino-N-[(1S)-1-[[[(1S)-1-[[[(1S)-5-amino-1-[[[(1S)-1-[[[(1S)-5-aminShow More

    Mol. Formula:
    C68H119N23O8

    M.W.:
    1386.85

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4102077

    Name:
    1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-aminShow More

    Mol. Formula:
    C67H117N23O8S

    M.W.:
    1404.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4097904

    Name:
    4-(aminomethyl)-N-(4-(3-(3-nitrophenyl)ureido)phenyl)benzenesulfonamide

    Mol. Formula:
    C20H19N5O5S

    M.W.:
    441.47

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    156.46

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA4086232

    Name:
    (6S,11S,16S,21S,26S)-16-((1H-indol-3-yl)methyl)-N-((4S,9S,14S)-1-amino-9-(4Show More

    Mol. Formula:
    C68H119N23O8

    M.W.:
    1386.85

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4078542

    Name:
    (6S,11S,16S,21S,26S,31S,36S,41R)-16,31-bis((1H-indol-3-yl)methyl)-11,26,36-Show More

    Mol. Formula:
    C68H118N22O8S

    M.W.:
    1403.90

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4075980

    Name:
    1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-aminShow More

    Mol. Formula:
    C67H117N23O8S

    M.W.:
    1404.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4071969

    Name:
    (6S,11S,16S,21R,27S,32S,37S,42R)-16,32-bis((1H-indol-3-yl)methyl)-11,27,37-Show More

    Mol. Formula:
    C69H120N22O9

    M.W.:
    1401.86

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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