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  1. ALA5270564

    Name:
    3'-(6-deoxytalo)piericidin A1

    Mol. Formula:
    C31H47NO8

    M.W.:
    561.72

    Type:
    ---

    AlogP:
    3.96

    Polar Surface Area:
    130.73

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA2021521

    Name:
    HPPH-Glu

    Mol. Formula:
    C45H61N5O8

    M.W.:
    800.01

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    194.01

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  3. ALA3594184

    Name:
    16-{5-[(piperidin-1-yl)carbothioyl]thiophen-2-yl}-
    Show More

    Mol. Formula:
    C35H38ClN3S2Se

    M.W.:
    679.26

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3594183

    Name:
    16-{5-[(piperidin-1-yl)carbonyl]thiophen-2-yl}-3-s
    Show More

    Mol. Formula:
    C35H38ClN3OSSe

    M.W.:
    663.19

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA3120958

    Name:
    [10B]-13,17-Bis[(N,N-dicarboxymethyl)carbamoylethy
    Show More

    Mol. Formula:
    C54H55BN8Na4O15

    M.W.:
    1158.05

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA3120957

    Name:
    [10B]-13,17-Bis{1-carboxy-2-[4-(dihydroxyboranyl)p
    Show More

    Mol. Formula:
    C54H57B2N7Na2O12

    M.W.:
    1062.09

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA3184774

    Name:
    SID144211479

    Cas Number:
    18172-67-3

    Mol. Formula:
    C10H16

    M.W.:
    136.24

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.45

    DETAILS
  8. ALA3354994

    Name:
    Syncarpic acid

    Cas Number:
    7181-79-5

    Mol. Formula:
    C10H14O3

    M.W.:
    182.22

    Type:
    Small molecule

    AlogP:
    1.15

    Polar Surface Area:
    51.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.53

    DETAILS
  9. ALA3342237

    Name:
    N-methyl-N-(1,4,4-trimethyl-6-(5-(piperidine-1-car
    Show More

    Mol. Formula:
    C31H36ClN3S2Se

    M.W.:
    629.20

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA3342109

    Name:
    N-methyl-N-(1,4,4-trimethyl-6-(5-(piperidine-1-car
    Show More

    Mol. Formula:
    C31H36ClN3OSSe

    M.W.:
    613.13

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA3342108

    Name:
    N-(6-(5-(diethylcarbamothioyl)thiophen-2-yl)-1,4,4
    Show More

    Mol. Formula:
    C30H36ClN3S2Se

    M.W.:
    617.19

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA3342107

    Name:
    N-(6-(5-(diethylcarbamoyl)thiophen-2-yl)-1,4,4-tri
    Show More

    Mol. Formula:
    C30H36ClN3OSSe

    M.W.:
    601.12

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA2326808

    Name:
    CMP-tPP

    Mol. Formula:
    C65H48BrN2OPS2

    M.W.:
    1048.12

    Type:
    Small molecule

    AlogP:
    16.55

    Polar Surface Area:
    35.01

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  14. ALA2326806

    Name:
    CMP-OH

    Mol. Formula:
    C44H28N2OS2

    M.W.:
    664.86

    Type:
    Small molecule

    AlogP:
    12.50

    Polar Surface Area:
    46.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  15. ALA554827

    Name:
    (E)-3-(3-Amino-4-methyl-phenyl)-2-(3,4,5-trimethox
    Show More

    Mol. Formula:
    C19H21ClN2O3

    M.W.:
    360.84

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    77.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA543392

    Name:
    (E)-3-(3-Amino-4-chloro-phenyl)-2-(3,4,5-trimethox
    Show More

    Mol. Formula:
    C18H18Cl2N2O3

    M.W.:
    381.26

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    77.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA554217

    Name:
    (E)-3-(3-Amino-4-methoxy-phenyl)-2-(3,4,5-trimetho
    Show More

    Mol. Formula:
    C19H21ClN2O4

    M.W.:
    376.84

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    86.73

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  18. ALA545736

    Name:
    2-Methyl-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]
    Show More

    Mol. Formula:
    C18H22ClNO3

    M.W.:
    335.83

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    53.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA342969

    Name:
    tetrasodium 4-[7,12,17-tri(4-sulfonatophenyl)-23-t
    Show More

    Mol. Formula:
    C44H25N3Na4O12S5

    M.W.:
    1039.99

    Type:
    Small molecule

    AlogP:
    9.04

    Polar Surface Area:
    259.05

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  20. ALA433927

    Name:
    tetrasodium 4-[7,12,17-tri(4-sulfonatophenyl)-21,2
    Show More

    Mol. Formula:
    C44H24N2Na4O12S4Se2

    M.W.:
    1150.83

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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