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  1. ALA4876985

    Name:
    Phorbol-13,20-dibutyrate

    Mol. Formula:
    C28H40O8

    M.W.:
    504.62

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA4872676

    Name:
    20-deoxyphorbol-5beta-hydroxy-12-tiglate-13-phenyl
    Show More

    Mol. Formula:
    C32H38O8

    M.W.:
    550.65

    Type:
    Unknown

    AlogP:
    3.31

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA1078340

    Name:
    5-((3-(benzo[d]thiazol-2-yl)phenylamino)methylene)
    Show More

    Mol. Formula:
    C20H16N2O4S

    M.W.:
    380.43

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    77.52

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA1160379

    Name:
    (T(m2dG)GGAG)

    Mol. Formula:
    C83H99N27O40P6

    M.W.:
    2300.70

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1160378

    Name:
    (TGGGA(m2dG))

    Mol. Formula:
    C83H99N27O40P6

    M.W.:
    2300.70

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA1160377

    Name:
    (TGG(m2dG)AG)

    Mol. Formula:
    C83H99N27O40P6

    M.W.:
    2300.70

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1160376

    Name:
    (TG(m2dG)GAG)

    Mol. Formula:
    C83H99N27O40P6

    M.W.:
    2300.70

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1160371

    Name:
    TGGG

    Mol. Formula:
    C60H67N17O28P4

    M.W.:
    1598.18

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1160370

    Name:
    ((m2dG)3

    Mol. Formula:
    C63H73N17O28P4

    M.W.:
    1640.26

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1160368

    Name:
    T(m2dG)3AG

    Mol. Formula:
    C85H103N27O40P6

    M.W.:
    2328.75

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1159415

    Name:
    2-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-He
    Show More

    Mol. Formula:
    C39H61F17N2O7

    M.W.:
    992.89

    Type:
    Small molecule

    AlogP:
    9.32

    Polar Surface Area:
    140.51

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    34

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA4790357

    Name:
    2-(tert-Butoxy)-2-(2',3,3'',4,4'',5'-hexamethyl-6'
    Show More

    Mol. Formula:
    C33H41NO4

    M.W.:
    515.69

    Type:
    Unknown

    AlogP:
    8.16

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA4789654

    Name:
    2-(tert-Butoxy)-2-(2',3,3'',4,4'',5'-hexamethyl-6'
    Show More

    Mol. Formula:
    C31H39NO5S

    M.W.:
    537.72

    Type:
    Unknown

    AlogP:
    7.18

    Polar Surface Area:
    92.70

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA3735809

    Name:
    5-chloro-1-Methyl-3-(thiophen-2-yl)pyrido[2,3-g]qu
    Show More

    Mol. Formula:
    C16H10ClN3OS

    M.W.:
    327.80

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    47.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  15. ALA3734995

    Name:
    5-chloro-3-Isopropyl-1-methylpyrido[2,3-g]quinoxal
    Show More

    Mol. Formula:
    C15H14ClN3O

    M.W.:
    287.75

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  16. ALA3736323

    Name:
    3-benzyl-5-chloro-2-methoxypyrido[2,3-g]quinoxalin
    Show More

    Mol. Formula:
    C19H14ClN3O

    M.W.:
    335.79

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    47.90

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  17. ALA3735070

    Name:
    5-chloro-2-methoxy-3-(thiophen-2-yl)pyrido[2,3-g]q
    Show More

    Mol. Formula:
    C16H10ClN3OS

    M.W.:
    327.80

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    47.90

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA3735060

    Name:
    5-chloro-3-isopropyl-2-methoxypyrido[2,3-g]quinoxa
    Show More

    Mol. Formula:
    C15H14ClN3O

    M.W.:
    287.75

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    47.90

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA3735807

    Name:
    5,6-dichloro-1-(4-methoxybenzyl)-1H-benzo[d][1,2,3
    Show More

    Mol. Formula:
    C14H11Cl2N3O

    M.W.:
    308.17

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    39.94

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  20. ALA3734762

    Name:
    5,6-dichloro-2-(4-methoxybenzyl)benzotriazole

    Mol. Formula:
    C14H11Cl2N3O

    M.W.:
    308.17

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    39.94

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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