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  1. ALA5278627

    Name:
    Penicitrinone F

    Mol. Formula:
    C24H26O5

    M.W.:
    394.47

    Type:
    ---

    AlogP:
    5.30

    Polar Surface Area:
    68.90

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA5273425

    Name:
    ZSU-H85 A

    Mol. Formula:
    C16H12O6

    M.W.:
    300.27

    Type:
    ---

    AlogP:
    1.63

    Polar Surface Area:
    115.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  3. ALA5090782

    Name:
    4-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[7-(4-carboxyphenyl)-1H-indol-3-ylShow More

    Mol. Formula:
    C89H84N8O24

    M.W.:
    1649.68

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5089508

    Name:
    5-[3-[2-[[7-[[2-[2,7-bis(3,5-dicarboxyphenyl)-1H-indol-3-yl]-1-carboxyethylShow More

    Mol. Formula:
    C91H69N7O35

    M.W.:
    1820.57

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5088782

    Name:
    5-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[7-(3,5-dicarboxyphenyl)-1H-indol-3-yl]Show More

    Mol. Formula:
    C67H57N7O23

    M.W.:
    1328.22

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5086453

    Name:
    4-[3-[2-[3-[3-[3-[[2-[2,7-bis(4-carboxyphenyl)-1H-indol-3-yl]-1-carboxyethyShow More

    Mol. Formula:
    C117H100N8O32

    M.W.:
    2130.11

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5083936

    Name:
    5-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[7-(3,5-dicarboxyphenyl)-1H-indol-Show More

    Mol. Formula:
    C93H84N8O32

    M.W.:
    1825.72

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5079848

    Name:
    3-[3-[2-carboxy-2-[3-[3-[3-[[1-carboxy-2-[7-(3-carboxyphenyl)-1H-indol-3-ylShow More

    Mol. Formula:
    C89H84N8O24

    M.W.:
    1649.68

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5079031

    Name:
    4-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[7-(4-carboxyphenyl)-1H-indol-3-yl]ethyShow More

    Mol. Formula:
    C64H57N7O17

    M.W.:
    1196.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5075062

    Name:
    3-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[7-(3-carboxyphenyl)-1H-indol-3-yl]ethyShow More

    Mol. Formula:
    C64H57N7O17

    M.W.:
    1196.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5075004

    Name:
    5-[3-[2-[3-[3-[3-[[2-[2,7-bis(3,5-dicarboxyphenyl)-1H-indol-3-yl]-1-carboxyShow More

    Mol. Formula:
    C125H100N8O48

    M.W.:
    2482.18

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5071324

    Name:
    5-[3-(2-amino-2-carboxy-ethyl)-2,7-bis(3,5-dicarboxyphenyl)-1H-indol-5-yl]bShow More

    Mol. Formula:
    C35H24N2O14

    M.W.:
    696.58

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    302.91

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA4799985

    Name:
    N-Isobutyl-2-isopropoxyquinoline-4-carboxamide

    Mol. Formula:
    C17H22N2O2

    M.W.:
    286.38

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  14. ALA4797019

    Name:
    (1R,2R,3S,4R,5S)-4-(2-chloro-4-((S)-1-cyclopropyl-2-hydroxy-2-methylpropylaShow More

    Mol. Formula:
    C20H27ClN4O4

    M.W.:
    422.91

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    123.66

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  15. ALA4795474

    Name:
    N-Isobutyl-2-propoxyquinoline-4-carboxamide

    Mol. Formula:
    C17H22N2O2

    M.W.:
    286.37

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  16. ALA4794178

    Name:
    2-Butoxy-N-(2-(piperidin-1-yl)ethyl)quinoline-4-carboxamide

    Mol. Formula:
    C21H29N3O2

    M.W.:
    355.48

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  17. ALA4792706

    Name:
    (1S,2R,3S,4R,5S)-4-(2-chloro-6-((R)-1-cyclopropyl-2-methylpropylamino)-9H-pShow More

    Mol. Formula:
    C20H28ClN5O2S

    M.W.:
    438.00

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    96.09

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  18. ALA4790333

    Name:
    (1R,2R,3S,4R,5S)-4-(2-chloro-6-((R)-1-cyclopropyl-2,2-dimethylpropylamino)-Show More

    Mol. Formula:
    C20H28ClN5O3

    M.W.:
    421.93

    Type:
    Unknown

    AlogP:
    1.99

    Polar Surface Area:
    116.32

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  19. ALA4788883

    Name:
    (1R,2R,3S,4R,5S)-4-(2-chloro-6-(2,4-dimethylpentan-3-ylamino)-9H-purin-9-ylShow More

    Mol. Formula:
    C19H28ClN5O3

    M.W.:
    409.92

    Type:
    Unknown

    AlogP:
    1.85

    Polar Surface Area:
    116.32

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA4786050

    Name:
    N-(2-(Dimethylamino)ethyl)-2-ethoxyquinoline-4-carboxamide

    Mol. Formula:
    C16H21N3O2

    M.W.:
    287.36

    Type:
    Unknown

    AlogP:
    1.92

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
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