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  1. ALA5179840

    Name:
    Alstomairine B

    Mol. Formula:
    C22H27N2O4+

    M.W.:
    383.47

    Type:
    ---

    AlogP:
    2.24

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA5172840

    Name:
    Alstomairine C

    Mol. Formula:
    C21H25N2O4+

    M.W.:
    369.44

    Type:
    ---

    AlogP:
    1.94

    Polar Surface Area:
    75.63

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA4878677

    Name:
    Colletoin B

    Mol. Formula:
    C22H28O7

    M.W.:
    404.46

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA4845816

    Name:
    Colletoin C

    Mol. Formula:
    C22H28O7

    M.W.:
    404.46

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA4209418

    Name:
    (S)-3-((S)-7-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)-2-((S)-2-Show More

    Mol. Formula:
    C25H28N2O6

    M.W.:
    452.51

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    135.96

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. ALA4207465

    Name:
    (S)-2-((S)-2-hydroxy-3-phenylpropanamido)-3-(2-(2-methylbut-3-en-2-yl)-1H-iShow More

    Mol. Formula:
    C25H28N2O4

    M.W.:
    420.51

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    102.42

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA4205964

    Name:
    Shornephine A

    Mol. Formula:
    C25H26N2O5

    M.W.:
    434.49

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    99.10

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA3092296

    Name:
    (+/-)-6-Benzo[b]thiophen-2-yl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole hydShow More

    Mol. Formula:
    C13H13ClN2S2

    M.W.:
    296.85

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    15.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  9. ALA3092295

    Name:
    (+/-)-6-(benzo[b]thiophen-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrochloShow More

    Mol. Formula:
    C13H11ClN2S2

    M.W.:
    294.83

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    15.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA3092294

    Name:
    (+/-)-2-(5,6-dihydroimidazo[2,1-b]thiazol-6-yl)benzo[b]thiophen-5-amine hydShow More

    Mol. Formula:
    C13H12ClN3S2

    M.W.:
    309.85

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    41.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  11. ALA3092293

    Name:
    (+/-)-6-(5-nitrobenzo[b]thiophen-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hyShow More

    Mol. Formula:
    C13H10ClN3O2S2

    M.W.:
    339.83

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    58.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA252139

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-aminocarShow More

    Mol. Formula:
    C39H39Cl3N4O4

    M.W.:
    734.12

    Type:
    Small molecule

    AlogP:
    6.40

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA399230

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C40H42Cl2N4O5

    M.W.:
    729.71

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    113.25

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  14. ALA398616

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C35H39Cl2N5O5

    M.W.:
    680.63

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    133.12

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA254826

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C39H39Cl2FN4O4

    M.W.:
    717.67

    Type:
    Small molecule

    AlogP:
    5.88

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA252123

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C36H40Cl2N4O5

    M.W.:
    679.64

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    113.25

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA400525

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C35H40Cl2N4O4

    M.W.:
    651.63

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  18. ALA400524

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C34H36Cl2N4O4

    M.W.:
    635.59

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA400523

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-(aminocaShow More

    Mol. Formula:
    C39H39Cl2FN4O4

    M.W.:
    717.67

    Type:
    Small molecule

    AlogP:
    5.88

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. QM31

    Name:
    1-(3',3'-diphenylpropyl)-4-[2'-(2'',4''-dichlorophenyl)ethyl]-7-[N-aminocarShow More

    Mol. Formula:
    C39H38Cl4N4O4

    M.W.:
    768.57

    Type:
    Small molecule

    AlogP:
    7.05

    Polar Surface Area:
    104.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
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