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  1. ALA5202029

    Name:
    3-ethyl-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-Show More

    Mol. Formula:
    C19H21N5O2

    M.W.:
    351.41

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    92.67

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. ALA5182403

    Name:
    N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3,Show More

    Mol. Formula:
    C19H21N5O2

    M.W.:
    351.41

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    92.67

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA4764550

    Name:
    NA

    Mol. Formula:
    C207H303N63O72S7

    M.W.:
    5050.54

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4762540

    Name:
    NA

    Mol. Formula:
    C205H300N58O66S7

    M.W.:
    4857.46

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4753825

    Name:
    NA

    Mol. Formula:
    C245H386N68O89S6

    M.W.:
    5900.57

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4751178

    Name:
    NA

    Mol. Formula:
    C208H304N58O68S6

    M.W.:
    4897.46

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4748140

    Name:
    (3S,6S,9S,12R,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,45R,48S)-1-amino-30-(Show More

    Mol. Formula:
    C103H148N26O29

    M.W.:
    2214.47

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4457859

    Name:
    (4S)-4-[[2-[[(1S,4S,7S,10S,13S,16S,19S,22S,25S,28R,33S,36S,39S,42S,45S,48S,Show More

    Mol. Formula:
    C258H385N65O77S6

    M.W.:
    5821.70

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4226003

    Name:
    (5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)-20-((1H-indol-3-yl)methyl)-Show More

    Mol. Formula:
    C185H262N46O63S2

    M.W.:
    4202.52

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA3822475

    Name:
    5-Chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More

    Mol. Formula:
    C28H36ClN7O3S

    M.W.:
    586.16

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    102.93

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA3822499

    Name:
    1-(2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)Show More

    Mol. Formula:
    C29H38ClN7O2

    M.W.:
    552.12

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    89.02

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA3824301

    Name:
    1-(2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)Show More

    Mol. Formula:
    C29H36ClN7O2

    M.W.:
    550.11

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    85.86

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA3822672

    Name:
    2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More

    Mol. Formula:
    C29H39ClN8O3S

    M.W.:
    615.20

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    106.17

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA3823016

    Name:
    2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More

    Mol. Formula:
    C30H39ClN8O2

    M.W.:
    579.15

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    89.10

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  15. ALA3824246

    Name:
    2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More

    Mol. Formula:
    C28H35ClN8O2

    M.W.:
    551.10

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    111.88

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA3823045

    Name:
    5-chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More

    Mol. Formula:
    C28H36ClN7O2

    M.W.:
    538.10

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    78.02

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  17. ALA3823864

    Name:
    2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-yl)pheShow More

    Mol. Formula:
    C28H33ClN8O

    M.W.:
    533.08

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    92.58

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA3822664

    Name:
    5-Chloro-N4-(2-iodophenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperShow More

    Mol. Formula:
    C27H33ClIN7O

    M.W.:
    633.97

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    68.79

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA3824185

    Name:
    5-Chloro-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-Show More

    Mol. Formula:
    C27H34ClN7O

    M.W.:
    508.07

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    68.79

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA3823224

    Name:
    (2-((5-Chloro-2-((2-isopropoxy-4-(4-(4-methylpiperazin-1-yl)-piperidin-1-ylShow More

    Mol. Formula:
    C31H43ClN7O2P

    M.W.:
    612.16

    Type:
    Small molecule

    AlogP:
    5.87

    Polar Surface Area:
    85.86

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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