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13 Items

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  1. ALA5271868

    Name:
    chloro-armeniaspirol

    Mol. Formula:
    C18H20Cl3NO3

    M.W.:
    404.72

    Type:
    ---

    AlogP:
    4.92

    Polar Surface Area:
    47.56

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. ALA5208987

    Name:
    (7S,10S,13S,16S,19S)-19-((2S,5S,8S,11S,14S)-14-amino-2,11-bis(4-aminobutyl)Show More

    Mol. Formula:
    C111H168N28O15

    M.W.:
    2134.75

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4800226

    Name:
    2,8-diiodo-1,3,7,9-tetramethyl-5,5-bis(3-(trimethylammonio)prop-1-ynyl)-5H-Show More

    Mol. Formula:
    C25H35BI4N4

    M.W.:
    910.01

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4798304

    Name:
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-Show More

    Mol. Formula:
    C90H136N34O14

    M.W.:
    1918.30

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4792704

    Name:
    2,8-diiodo-1,3,7,9-tetramethyl-5,5-bis(2-(1-methylpyridinium-4-yl)ethoxy)-5Show More

    Mol. Formula:
    C29H35BI4N4O2

    M.W.:
    990.05

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4780400

    Name:
    N-Benzyl-4-(isopentyloxy)-2-naphthamide

    Mol. Formula:
    C23H25NO2

    M.W.:
    347.46

    Type:
    Unknown

    AlogP:
    5.19

    Polar Surface Area:
    38.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA4779356

    Name:
    N4-((5-(3-bromophenyl)thiophen-2-yl)methyl)-N2-isobutylpyrimidine-2,4-diamiShow More

    Mol. Formula:
    C19H21BrN4S

    M.W.:
    417.38

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    49.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA4761201

    Name:
    4-(Benzyloxy)-N-propyl-2-naphthamide

    Mol. Formula:
    C21H21NO2

    M.W.:
    319.40

    Type:
    Unknown

    AlogP:
    4.56

    Polar Surface Area:
    38.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  9. ALA4746494

    Name:
    (3S,6S,9S,12S,15S)-6,15-bis(4-aminobutyl)-1-((S)-1-((2S,5S,8S,11S,14S,17S,2Show More

    Mol. Formula:
    C74H140N20O15

    M.W.:
    1550.06

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4741302

    Name:
    4-(2-((Furan-2-ylmethyl)amino)ethoxy)-2-naphthamide

    Mol. Formula:
    C18H18N2O3

    M.W.:
    310.35

    Type:
    Unknown

    AlogP:
    2.70

    Polar Surface Area:
    77.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. ALA4536717

    Name:
    (S)-((3R,5R,7S,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-(benzyloxy)-5-oxopentanShow More

    Mol. Formula:
    C53H90Cl3N9O10

    M.W.:
    1119.71

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4515011

    Name:
    (4S,4'S)-5,5'-(2,2'-((3R,5R,7S,8R,9S,10S,12S,13R,14S,17R)-7-(3-((S)-2-aminoShow More

    Mol. Formula:
    C53H81Cl3N6O16

    M.W.:
    1164.62

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1256951

    Name:
    CGKRK

    Mol. Formula:
    C23H46N10O6S

    M.W.:
    590.75

    Type:
    Protein

    AlogP:
    -3.58

    Polar Surface Area:
    293.66

    HBA:
    10

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
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