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  1. ALA4513568

    Name:
    7,4',7''-tri-O-methylcupressuflavone

    Mol. Formula:
    C33H24O10

    M.W.:
    580.55

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    148.80

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4476718

    Name:
    2-(3,4-dihydroxyphenyl)-3H-naphtho[1,2-e][1,2]oxab
    Show More

    Mol. Formula:
    C18H13BO5

    M.W.:
    320.11

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4475538

    Name:
    [5-(10-Methyl-10H-phenothiazin-3-ylmethylene)-4-ox
    Show More

    Mol. Formula:
    C25H24N2O5S3

    M.W.:
    528.68

    Type:
    Unknown

    AlogP:
    4.82

    Polar Surface Area:
    68.31

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA4474954

    Name:
    (E)-3-(m-tolyl)-1-(2,3,4-trihydroxyphenyl)prop-2-e
    Show More

    Mol. Formula:
    C16H14O4

    M.W.:
    270.28

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA4536141

    Name:
    7,7'',4'''-tri-O-methylagathisflavone

    Mol. Formula:
    C33H24O10

    M.W.:
    580.55

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    148.80

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  6. ALA4524154

    Name:
    3-(4,5-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphen
    Show More

    Mol. Formula:
    C16H14O5

    M.W.:
    286.28

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA4522982

    Name:
    Cryptomerin B

    Cas Number:
    22012-98-2

    Mol. Formula:
    C32H22O10

    M.W.:
    566.52

    Type:
    Unknown

    AlogP:
    6.16

    Polar Surface Area:
    148.80

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  8. ALA4522050

    Name:
    ethyl 2-acetamido-3-(1-(2-(trifluoromethyl)phenyl)
    Show More

    Mol. Formula:
    C26H23F6N7O3

    M.W.:
    595.50

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    116.82

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  9. ALA4535330

    Name:
    (E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)
    Show More

    Mol. Formula:
    C16H14O5

    M.W.:
    286.28

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA4534352

    Name:
    4-(3-hydroxy-3H-naphtho[1,2-e][1,2]oxaborinin-2-yl
    Show More

    Mol. Formula:
    C18H13BO4

    M.W.:
    304.11

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4534005

    Name:
    GSM_NC

    Mol. Formula:
    C25H23F3N6O2

    M.W.:
    496.49

    Type:
    Unknown

    AlogP:
    4.53

    Polar Surface Area:
    78.07

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA4558518

    Name:
    GSI_NC

    Mol. Formula:
    C28H35ClF2N2O4S

    M.W.:
    569.11

    Type:
    Unknown

    AlogP:
    6.22

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA4554693

    Name:
    7,4'''-di-O-methylagathisflavone

    Mol. Formula:
    C32H22O10

    M.W.:
    566.52

    Type:
    Unknown

    AlogP:
    5.74

    Polar Surface Area:
    159.80

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA4552863

    Name:
    2-(3,5-dihydroxyphenyl)-3H-naphtho[1,2-e][1,2]oxab
    Show More

    Mol. Formula:
    C18H13BO5

    M.W.:
    320.11

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4571653

    Name:
    (E)-1-(3,5-dihydroxyphenyl)-3-(4-methoxyphenyl)pro
    Show More

    Mol. Formula:
    C16H14O4

    M.W.:
    270.28

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA4570231

    Name:
    (Ethoxycarbonylmethyl{2-[5-(10-methyl-10H-phenothi
    Show More

    Mol. Formula:
    C27H27N3O6S3

    M.W.:
    585.73

    Type:
    Unknown

    AlogP:
    4.08

    Polar Surface Area:
    96.46

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA4569343

    Name:
    NA

    Mol. Formula:
    C33H45ClN4O2

    M.W.:
    565.20

    Type:
    Unknown

    AlogP:
    7.01

    Polar Surface Area:
    74.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA4566976

    Name:
    1-Adamantan-1-yl-3-[8-(7-methoxy-1,2,3,4-tetrahydr
    Show More

    Mol. Formula:
    C33H48N4OS

    M.W.:
    548.84

    Type:
    Unknown

    AlogP:
    7.31

    Polar Surface Area:
    58.21

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA4745075

    Name:
    (E)-4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopr
    Show More

    Mol. Formula:
    C32H28N2O4

    M.W.:
    504.59

    Type:
    Unknown

    AlogP:
    6.63

    Polar Surface Area:
    59.08

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  20. ALA4744986

    Name:
    9-Methoxy-2,3,10-trihydroxy-5,6-dihydroisoquinolin
    Show More

    Mol. Formula:
    C18H16ClNO4

    M.W.:
    345.78

    Type:
    Unknown

    AlogP:
    2.48

    Polar Surface Area:
    73.80

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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