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  1. milrebrutinib

    Name:
    2-(3-(2-Amino-6-(1-(oxetan-3-yl)-1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrroloShow More

    Mol. Formula:
    C33H31FN6O3

    M.W.:
    578.65

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    122.29

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  2. ALA4580788

    Name:
    6-((4-Chlorophenoxy)methyl)quinolin-2-amine

    Mol. Formula:
    C16H13ClN2O

    M.W.:
    284.75

    Type:
    Unknown

    AlogP:
    4.05

    Polar Surface Area:
    48.14

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. ALA4175428

    Name:
    Tirabrutinib

    Mol. Formula:
    C26H24N6O3

    M.W.:
    468.52

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    108.27

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4172284

    Name:
    4-amino-8-(6-methyl-1H-indazol-5-yl)cinnoline-3-carboxamide

    Mol. Formula:
    C17H14N6O

    M.W.:
    318.34

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    123.57

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA3728149

    Name:
    N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-trifluShow More

    Mol. Formula:
    C20H11F5N4O3S

    M.W.:
    482.39

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    104.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA3732311

    Name:
    propane-1-sulfonic acid [2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbShow More

    Mol. Formula:
    C16H14F2N4O3S

    M.W.:
    380.38

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    104.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA381361

    Name:
    N-(2-fluorobenzyl)quinolin-2-amine

    Mol. Formula:
    C16H13FN2

    M.W.:
    252.29

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    24.92

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA201720

    Name:
    N-benzylquinolin-2-amine

    Mol. Formula:
    C16H14N2

    M.W.:
    234.30

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    24.92

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. ALA199638

    Name:
    N-((1H-pyrrol-2-yl)methyl)quinolin-2-amine

    Mol. Formula:
    C14H13N3

    M.W.:
    223.28

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    40.71

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA201328

    Name:
    N-(3-fluorobenzyl)quinolin-2-amine

    Mol. Formula:
    C16H13FN2

    M.W.:
    252.29

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    24.92

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA202984

    Name:
    4-((quinolin-2-ylamino)methyl)phenol

    Mol. Formula:
    C16H14N2O

    M.W.:
    250.30

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    45.15

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. ALA382999

    Name:
    3-((quinolin-2-ylamino)methyl)phenol

    Mol. Formula:
    C16H14N2O

    M.W.:
    250.30

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    45.15

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
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