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  1. ALA4579445

    Name:
    2-(3-(5-isopropylpyridine-2-sulfonamido)-2-(2-methoxyphenoxy)-5-(4-methylpiShow More

    Mol. Formula:
    C35H40N6O8S

    M.W.:
    704.81

    Type:
    Unknown

    AlogP:
    5.22

    Polar Surface Area:
    161.52

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  2. ALA4568795

    Name:
    sodium(S)-2-((R)-2-((R)-2-((2S,6R)-2,6-dimethylpiperidine-1-carboxamido)-4,Show More

    Mol. Formula:
    C34H50N5NaO7

    M.W.:
    663.79

    Type:
    Unknown

    AlogP:
    4.82

    Polar Surface Area:
    159.07

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA4447655

    Name:
    4-(4-tert-butylphenylsulfonamido)-6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-Show More

    Mol. Formula:
    C30H32N4O7S

    M.W.:
    592.67

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    148.97

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA4438411

    Name:
    3-(2-hydroxyethoxy)-4-(3-methoxyphenoxy)-5-(4-(methylthio)phenylsulfonamidoShow More

    Mol. Formula:
    C29H28N2O7S2

    M.W.:
    580.68

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    123.19

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4075238

    Name:
    sodium (R)-2-((R)-2-((S)-2-((2R,6S)-2,6-dimethylpiperidine-1-carboxamido)-4Show More

    Mol. Formula:
    C34H50N5NaO7

    M.W.:
    663.79

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    159.07

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA3885244

    Name:
    Endothelin-3

    Mol. Formula:
    C121H168N26O32S4

    M.W.:
    2627.09

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. endothelin-2

    Name:
    Endothelin-3

    Mol. Formula:
    C115H160N26O32S4

    M.W.:
    2546.96

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA2261602

    Name:
    rac-ethyl 3-(1-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxy-4-methylphenylsulfonShow More

    Mol. Formula:
    C29H28N2O8S

    M.W.:
    564.62

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    122.16

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA2261601

    Name:
    rac-2-(benzo[d][1,3]dioxol-5-yl)-N-(2-methoxy-4-methylphenylsulfonyl)-2-(6-Show More

    Mol. Formula:
    C28H28N2O7S

    M.W.:
    536.61

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    105.09

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA2261363

    Name:
    rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(6-chloro-1-methyl-1H-indol-3-yl)-N-(2-mShow More

    Mol. Formula:
    C26H23ClN2O6S

    M.W.:
    527.00

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    95.86

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA2261362

    Name:
    rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(6-(hydroxymethyl)-1-methyl-1H-indol-3-yShow More

    Mol. Formula:
    C26H24N2O6S

    M.W.:
    492.55

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    106.86

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  12. ALA2261359

    Name:
    (+)-(S)-3-(1-(benzo[d][1,3]dioxol-5-yl)-2-(2-methoxy-4-methylphenylsulfonamShow More

    Mol. Formula:
    C27H24N2O8S

    M.W.:
    536.56

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    133.16

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA2261356

    Name:
    rac-2-(benzo[d][1,3]dioxol-5-yl)-2-(1-ethyl-1H-indol-3-yl)-N-(4-isopropylphShow More

    Mol. Formula:
    C28H28N2O5S

    M.W.:
    504.61

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    86.63

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA2165328

    Name:
    N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-4-pyrimidiShow More

    Mol. Formula:
    C24H23BrN6O6S

    M.W.:
    603.46

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    146.68

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA2165327

    Name:
    Sarafotoxin 6c

    Mol. Formula:
    C103H147N27O37S5

    M.W.:
    2515.80

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. aprocitentan

    Name:
    N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinylShow More

    Mol. Formula:
    C16H14Br2N6O4S

    M.W.:
    546.20

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    142.21

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  17. ALA2163728

    Name:
    N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-(2-methoShow More

    Mol. Formula:
    C27H29BrN6O8S

    M.W.:
    677.53

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    165.14

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  18. ALA2163727

    Name:
    N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-methoxy-Show More

    Mol. Formula:
    C25H25BrN6O7S

    M.W.:
    633.48

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    155.91

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA2163726

    Name:
    N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-cycloproShow More

    Mol. Formula:
    C27H27BrN6O6S

    M.W.:
    643.52

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    146.68

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA2163725

    Name:
    N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-(4-morphShow More

    Mol. Formula:
    C28H30BrN7O7S

    M.W.:
    688.56

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    159.15

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
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