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  1. ALA5269347

    Name:
    6'-chloroisoplagiochin D

    Mol. Formula:
    C28H23ClO4

    M.W.:
    458.94

    Type:
    ---

    AlogP:
    6.38

    Polar Surface Area:
    80.92

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  2. ALA5268131

    Name:
    Macrolactin T

    Mol. Formula:
    C24H36O6

    M.W.:
    420.55

    Type:
    ---

    AlogP:
    2.89

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA5280440

    Name:
    Macrolactin B

    Mol. Formula:
    C30H46O10

    M.W.:
    566.69

    Type:
    ---

    AlogP:
    1.74

    Polar Surface Area:
    166.14

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA5278865

    Name:
    6',8'-dichloroisoplagiochin C

    Mol. Formula:
    C28H20Cl2O4

    M.W.:
    491.37

    Type:
    ---

    AlogP:
    7.33

    Polar Surface Area:
    80.92

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA5274091

    Name:
    5-hydoxycalamenene

    Mol. Formula:
    C15H22O

    M.W.:
    218.34

    Type:
    ---

    AlogP:
    4.34

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA5187175

    Name:
    3-isopropyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]piperazine-2,5-dionShow More

    Mol. Formula:
    C21H27N3O2

    M.W.:
    353.47

    Type:
    ---

    AlogP:
    2.79

    Polar Surface Area:
    63.13

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  7. ALA4277825

    Name:
    1,2,4,6-tetrathiepane

    Mol. Formula:
    C3H6S4

    M.W.:
    170.35

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    0.00

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA3342644

    Name:
    palmarumycin C6

    Mol. Formula:
    C19H12O5

    M.W.:
    320.30

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA3145387

    Name:
    1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol

    Mol. Formula:
    C10H12N4O

    M.W.:
    204.23

    Type:
    Small molecule

    AlogP:
    0.88

    Polar Surface Area:
    63.57

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  10. ALA2288805

    Name:
    (E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(isoxazol-3-yl)methanone O-methyShow More

    Mol. Formula:
    C20H20N2O3

    M.W.:
    336.39

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    56.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA2288800

    Name:
    (Z)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(3-methylisoxazol-5-yl)methanoneShow More

    Mol. Formula:
    C21H22N2O3

    M.W.:
    350.42

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    56.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA2288729

    Name:
    2-amino-6-sec-butyl-4-oxo-4H-chromene-3-carboxamide

    Mol. Formula:
    C14H16N2O3

    M.W.:
    260.29

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    99.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  13. ALA2288727

    Name:
    2-amino-6-isopropyl-4-oxo-4H-chromene-3-carboxamide

    Mol. Formula:
    C13H14N2O3

    M.W.:
    246.27

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    99.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA2288705

    Name:
    2-amino-6-tert-butyl-4-oxo-4H-chromene-3-carboxamide

    Mol. Formula:
    C14H16N2O3

    M.W.:
    260.29

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    99.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  15. ALA2288554

    Name:
    (E)-2-(methoxyimino)-N-methyl-2-(2-(2-nitrophenoxy)phenyl)acetamide

    Mol. Formula:
    C16H15N3O5

    M.W.:
    329.31

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    103.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA2288553

    Name:
    (E)-2-(methoxyimino)-N-methyl-2-(2-(4-nitrophenoxy)phenyl)acetamide

    Mol. Formula:
    C16H15N3O5

    M.W.:
    329.31

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    103.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA2288438

    Name:
    2-(4-isobutyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine

    Mol. Formula:
    C15H22N4

    M.W.:
    258.37

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  18. ALA2288437

    Name:
    2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine

    Mol. Formula:
    C14H20N4

    M.W.:
    244.34

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA2288436

    Name:
    2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidine

    Mol. Formula:
    C13H18N4

    M.W.:
    230.31

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA2288435

    Name:
    4-methyl-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidine

    Mol. Formula:
    C11H14N4

    M.W.:
    202.26

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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