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  1. ALA5316227

    Name:
    PASIREOTIDE (DITRIFLUOROACETATE)

    Mol. Formula:
    C62H68F6N10O13

    M.W.:
    1275.27

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5316219

    Name:
    QUINAGOLIDE (HYDROCHLORIDE)

    Mol. Formula:
    C20H34ClN3O3S

    M.W.:
    432.03

    Type:
    ---

    AlogP:
    2.14

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA4630650

    Name:
    PD119323

    Cas Number:
    60320-32-3

    Mol. Formula:
    C4H4ClN3OS

    M.W.:
    177.62

    Type:
    Unknown

    AlogP:
    1.15

    Polar Surface Area:
    54.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA4630649

    Name:
    XE991

    Cas Number:
    19438-59-6

    Mol. Formula:
    C9H10O3

    M.W.:
    166.18

    Type:
    Unknown

    AlogP:
    1.19

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.40

    DETAILS
  5. ALA4630648

    Name:
    EXP3174

    Cas Number:
    2739-97-1

    Mol. Formula:
    C7H6N2

    M.W.:
    118.14

    Type:
    Unknown

    AlogP:
    1.15

    Polar Surface Area:
    36.68

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.55

    DETAILS
  6. ALA4630647

    Name:
    4'-O-methyl Quercetin

    Cas Number:
    89531-58-8

    Mol. Formula:
    C6H12ClNO3

    M.W.:
    181.62

    Type:
    Unknown

    AlogP:
    -0.60

    Polar Surface Area:
    49.77

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  7. ALA4630646

    Name:
    AZ 11645373

    Cas Number:
    90315-82-5

    Mol. Formula:
    C12H16O3

    M.W.:
    208.26

    Type:
    Unknown

    AlogP:
    1.54

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA4630645

    Name:
    TAZAROTENE

    Mol. Formula:
    C13H12N2O4

    M.W.:
    260.25

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    82.25

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  9. ALA4593961

    Name:
    methionine benzimidazole 6

    Mol. Formula:
    C23H25N3O3S

    M.W.:
    423.54

    Type:
    Unknown

    AlogP:
    5.24

    Polar Surface Area:
    80.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA4593278

    Name:
    PF-543

    Cas Number:
    1415562-83-2

    Mol. Formula:
    C33H39NO11S

    M.W.:
    657.74

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA4593105

    Name:
    cabergoline

    Mol. Formula:
    C26H37N5O2

    M.W.:
    451.62

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    71.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA4591711

    Name:
    AZ12260493

    Cas Number:
    898800-26-5

    Mol. Formula:
    C24H29N3O3S

    M.W.:
    439.58

    Type:
    Unknown

    AlogP:
    4.43

    Polar Surface Area:
    69.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA4591460

    Name:
    MK-0557

    Mol. Formula:
    C22H19FN4O3

    M.W.:
    406.42

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    86.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  14. ALA4591234

    Name:
    THDOC

    Mol. Formula:
    C21H34O3

    M.W.:
    334.50

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  15. ALA4590257

    Name:
    SB-743921

    Mol. Formula:
    C31H33ClN2O3

    M.W.:
    517.07

    Type:
    Unknown

    AlogP:
    6.53

    Polar Surface Area:
    76.54

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA4588937

    Name:
    Meldonium hydrateÊ

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4588354

    Name:
    NCS-382

    Mol. Formula:
    C13H14O3

    M.W.:
    218.25

    Type:
    Unknown

    AlogP:
    2.07

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  18. ALA4587981

    Name:
    NS6180

    Cas Number:
    353262-04-1

    Mol. Formula:
    C16H12F3NOS

    M.W.:
    323.34

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    20.31

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  19. ALA4587433

    Name:
    Protein kinase inhibitors 1

    Mol. Formula:
    C18H17N5O3S

    M.W.:
    383.43

    Type:
    Unknown

    AlogP:
    1.17

    Polar Surface Area:
    107.19

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  20. ALA4587343

    Name:
    ATORVASTATIN

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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