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  1. ALA4514377

    Name:
    (2S)-5-amino-2-((2S)-1-((2S)-1-((2S,5S,8S,11S,14S,
    Show More

    Mol. Formula:
    C87H151N37O18

    M.W.:
    2003.41

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4513750

    Name:
    Eucalypglobulusal F

    Mol. Formula:
    C28H38O6

    M.W.:
    470.61

    Type:
    Unknown

    AlogP:
    5.69

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA4513587

    Name:
    (1R,2S,5R)-2-(hexylthio)-6,8-dioxabicyclo[3.2.1]oc
    Show More

    Mol. Formula:
    C12H20O3S

    M.W.:
    244.36

    Type:
    Unknown

    AlogP:
    2.38

    Polar Surface Area:
    35.53

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  4. ALA4483734

    Name:
    6-chloro-4-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxy
    Show More

    Mol. Formula:
    C11H14ClN3O6

    M.W.:
    319.70

    Type:
    Unknown

    AlogP:
    -2.00

    Polar Surface Area:
    147.90

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA4476668

    Name:
    Euphorhelipane A

    Mol. Formula:
    C20H30O4

    M.W.:
    334.46

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    74.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  6. ALA4475846

    Name:
    N'-methylbenzohydrazide

    Cas Number:
    1660-24-8

    Mol. Formula:
    C8H10N2O

    M.W.:
    150.18

    Type:
    Unknown

    AlogP:
    0.55

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.60

    DETAILS
  7. ALA4475484

    Name:
    4-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5
    Show More

    Mol. Formula:
    C11H15N3O6

    M.W.:
    285.26

    Type:
    Unknown

    AlogP:
    -2.66

    Polar Surface Area:
    147.90

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA4474563

    Name:
    Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-(1-((isopropox
    Show More

    Mol. Formula:
    C28H39FN3O12P

    M.W.:
    659.60

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    182.85

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA4474337

    Name:
    1-(4-(6-(diethylamino)pyridazin-3-yl)phenyl)ethano
    Show More

    Mol. Formula:
    C16H19N3O

    M.W.:
    269.35

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    46.09

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA4538920

    Name:
    3-((1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2
    Show More

    Mol. Formula:
    C13H11NO5

    M.W.:
    261.23

    Type:
    Unknown

    AlogP:
    0.85

    Polar Surface Area:
    70.67

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA4537291

    Name:
    Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-(ethylamino)-2
    Show More

    Mol. Formula:
    C24H35N4O9P

    M.W.:
    554.54

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    170.47

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA4536594

    Name:
    Isopropyl ((S)-(((2R,3R,4R,5R)-5-(4-methoxy-2-oxop
    Show More

    Mol. Formula:
    C23H31FN3O9P

    M.W.:
    543.49

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    147.44

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  13. ALA4524814

    Name:
    (E)-N-(3-(1H-Imidazol-1-yl)propyl)-2-(3,4-dimethox
    Show More

    Mol. Formula:
    C24H27N3O4

    M.W.:
    421.50

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    74.61

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA4524349

    Name:
    2-(Cyclopropylsulfonyl)chromeno[4,3-c]pyrazol-4(2H
    Show More

    Mol. Formula:
    C13H10N2O4S

    M.W.:
    290.30

    Type:
    Unknown

    AlogP:
    1.48

    Polar Surface Area:
    82.17

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  15. ALA4521846

    Name:
    (S)-5-amino-5-oxo-2-((S)-1-((S)-1-((6S,9S,12S,15S,
    Show More

    Mol. Formula:
    C68H128N34O15

    M.W.:
    1662.00

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4520939

    Name:
    Isopropyl ((S)-(((2R,3S,4R,5R)-5-(3-(ethylamino)-2
    Show More

    Mol. Formula:
    C24H35N4O9P

    M.W.:
    554.54

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    170.47

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA4534982

    Name:
    (6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-12-((1
    Show More

    Mol. Formula:
    C71H125N25O13

    M.W.:
    1536.94

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4533537

    Name:
    Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-pentyloxyformy
    Show More

    Mol. Formula:
    C28H39FN3O11P

    M.W.:
    643.60

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    173.62

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  19. ALA4533213

    Name:
    Isopropyl ((R)-(((2R,3R,4R,5R)-5-(3-amino-2-oxopyr
    Show More

    Mol. Formula:
    C22H31N4O9P

    M.W.:
    526.48

    Type:
    Unknown

    AlogP:
    0.97

    Polar Surface Area:
    184.46

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  20. ALA4533002

    Name:
    N-(5-cyano-4-((4-methoxypyridin-3-yl)amino)pyridin
    Show More

    Mol. Formula:
    C27H26N8O5

    M.W.:
    542.56

    Type:
    Unknown

    AlogP:
    2.65

    Polar Surface Area:
    162.67

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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