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  1. ALA5316209

    Name:
    SPARTEINE HYDROIODIDE

    Mol. Formula:
    C15H27IN2

    M.W.:
    362.30

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  2. ALA3989893

    Name:
    MEPARTRICIN

    Mol. Formula:
    C119H174N4O38

    M.W.:
    2268.69

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA3989698

    Name:
    TRANYLCYPROMINE SULFATE

    Mol. Formula:
    C18H24N2O4S

    M.W.:
    364.47

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3351096

    Name:
    CADAVERINE TARTRATE

    Mol. Formula:
    C9H20N2O6

    M.W.:
    252.27

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    52.04

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA3344503

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3S)-3-methyl-2-(methylamino)-4-(2-morpholinoethoxShow More

    Mol. Formula:
    C68H122N12O14

    M.W.:
    1331.79

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA3344502

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-3-methyl-2-(methylamino)-5-morpholinopentanoiShow More

    Mol. Formula:
    C67H120N12O13

    M.W.:
    1301.77

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA3344501

    Name:
    NIM258

    Mol. Formula:
    C69H125N13O13

    M.W.:
    1344.84

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA3344500

    Name:
    3-[(D)-N(CH3)-Ala-4-(2S,3R)]-4-((2-methoxyethyl)(methyl)amino)-3-methyl-2-(Show More

    Mol. Formula:
    C66H120N12O13

    M.W.:
    1289.76

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA3344499

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-4-(4-cyanopiperidin-1-yl)-3-methyl-2-(methylaShow More

    Mol. Formula:
    C68H119N13O12

    M.W.:
    1310.78

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA3344498

    Name:
    3-[(D)-N(CH3)]-Ala-4-[(2S,3R)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-metShow More

    Mol. Formula:
    C68H120N12O13

    M.W.:
    1313.78

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA3344497

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-4-(3,3-difluoropyrrolidin-1-yl)-3-methyl-2-(mShow More

    Mol. Formula:
    C66H116F2N12O12

    M.W.:
    1307.72

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA3344496

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-3-methyl-2-(methylamino)-4-(1,4-oxazepan-4-ylShow More

    Mol. Formula:
    C67H120N12O13

    M.W.:
    1301.77

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA3344495

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-3-methyl-2-(methylamino)-4-morpholinobutanoicShow More

    Mol. Formula:
    C66H118N12O13

    M.W.:
    1287.74

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA3344494

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3S)-4-methoxy-3-methyl-2-(methylamino)butanoicaciShow More

    Mol. Formula:
    C63H113N11O13

    M.W.:
    1232.66

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA3344493

    Name:
    3-[(D)-N(CH3)-Ala]-4-[(2S,3R)-4-cyano-3-methyl-2-(methylamino)butanoicacid]Show More

    Mol. Formula:
    C63H110N12O12

    M.W.:
    1227.64

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. Dihydrostreptomycin sulfate

    Name:
    DIHYDROSTREPTOMYCIN SULFATE

    Mol. Formula:
    C42H88N14O36S3

    M.W.:
    1461.43

    Type:
    Small molecule

    AlogP:
    -7.95

    Polar Surface Area:
    334.59

    HBA:
    15

    HBD:
    15

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  17. D-(+)-Arabitol

    Name:
    ARABITOL(D)

    Mol. Formula:
    C5H12O5

    M.W.:
    152.15

    Type:
    Small molecule

    AlogP:
    -2.95

    Polar Surface Area:
    101.15

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  18. ALA3183453

    Name:
    NOVOBIOCIN SODIUM

    Mol. Formula:
    C31H35N2NaO11

    M.W.:
    634.61

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    200.01

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  19. ALA3138704

    Name:
    2,4,5-TRICHLOROPHENOXYACETIC ACID, ISOOCTYL ESTER

    Mol. Formula:
    C16H21Cl3O3

    M.W.:
    367.70

    Type:
    Small molecule

    AlogP:
    5.79

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. 3-O-Benzyl Estriol

    Name:
    ESTRIOL BENZYL ETHER

    Mol. Formula:
    C25H30O3

    M.W.:
    378.51

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
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