The page will load shortly, Thanks for your patience!
View as Grid List

Items 1-20 of 355

Set Ascending Direction
Select all
  1. ALA5291432

    Name:
    1-carbamimidoyl-2-[(2,5-dimethyl-4-nitro-phenyl)methyl]isothiourea

    Mol. Formula:
    C11H15N5O2S

    M.W.:
    281.34

    Type:
    ---

    AlogP:
    1.86

    Polar Surface Area:
    128.89

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA3634634

    Name:
    1-(4-(aminomethyl)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamiShow More

    Mol. Formula:
    C12H18N6

    M.W.:
    246.32

    Type:
    Small molecule

    AlogP:
    0.33

    Polar Surface Area:
    106.02

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. ALA2047253

    Name:
    N4-(4-Chloro-2-fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

    Mol. Formula:
    C17H12ClFN4

    M.W.:
    326.76

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA2047252

    Name:
    N4-(3-Chloro-4-Fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

    Mol. Formula:
    C17H12ClFN4

    M.W.:
    326.76

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  5. ALA2047248

    Name:
    N4-(3-Bromophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

    Mol. Formula:
    C17H13BrN4

    M.W.:
    353.22

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA2047247

    Name:
    N4-(4-Chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

    Mol. Formula:
    C17H13ClN4

    M.W.:
    308.77

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA2047245

    Name:
    N4-(4-Isopropylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

    Mol. Formula:
    C20H20N4

    M.W.:
    316.41

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA1625056

    Name:
    1-(3-(aminomethyl)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamiShow More

    Mol. Formula:
    C12H18N6

    M.W.:
    246.32

    Type:
    Small molecule

    AlogP:
    0.33

    Polar Surface Area:
    106.02

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA1617293

    Name:
    1-(3-chloro-4-(3-phenoxypropoxy)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triaShow More

    Mol. Formula:
    C20H24ClN5O2

    M.W.:
    401.90

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    98.46

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA1160541

    Name:
    3-amino-1-{[4-({[[(aminocarbonothioyl)amino](iminio)methyl]amino}methyl)-2,Show More

    Mol. Formula:
    C15H23N7S2

    M.W.:
    365.53

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    133.99

    HBA:
    3

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  11. ALA598090

    Name:
    2,4-Diamino-5-methyl-6-(2'-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine

    Mol. Formula:
    C14H14N4O2S

    M.W.:
    302.36

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    100.19

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA604722

    Name:
    2,4-Diamino-5-methyl-6-(2',3',5',6'-tetrafluoro-4'-trifluoromethylphenylsulShow More

    Mol. Formula:
    C14H7F7N4OS

    M.W.:
    412.29

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  13. ALA597885

    Name:
    2,4-Diamino-5-methyl-6-(4'-methoxyphenylsulfanyl)-furo[2,3-d]pyrimidine

    Mol. Formula:
    C14H14N4O2S

    M.W.:
    302.36

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    100.19

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  14. ALA596681

    Name:
    2,4-Diamino-5-methyl-6-(2',5'-dimethoxyphenylsulfanyl)-furo[2,3-d]pyrimidinShow More

    Mol. Formula:
    C15H16N4O3S

    M.W.:
    332.39

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    109.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA596680

    Name:
    2,4-Diamino-5-methyl-6-(2',6'-dichlorophenylsulfanyl)-furo[2,3-d]pyrimidine

    Mol. Formula:
    C13H10Cl2N4OS

    M.W.:
    341.22

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  16. ALA609896

    Name:
    2,4-Diamino-5-methyl-6-(2',6'-dimethylphenylsulfanyl)-furo[2,3-d]pyrimidine

    Mol. Formula:
    C15H16N4OS

    M.W.:
    300.39

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  17. ALA596673

    Name:
    2,4-Diamino-5-methyl-6-(2-naphthylthio)furo[2,3-d]pyrimidine

    Mol. Formula:
    C17H14N4OS

    M.W.:
    322.39

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA602104

    Name:
    2,4-Diamino-5-methyl-6-(1-naphthylthio)furo[2,3-d]pyrimidine

    Mol. Formula:
    C17H14N4OS

    M.W.:
    322.39

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA551768

    Name:
    2-Amino-5-[(2-chlorophenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3H)-onShow More

    Mol. Formula:
    C14H12ClN3OS2

    M.W.:
    337.86

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    71.77

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  20. ALA563212

    Name:
    2-Amino-5-[(3,5-dimethoxyphenyl)sulfanyl]-6-ethylthieno[2,3-d]pyrimidin-4(3Show More

    Mol. Formula:
    C16H17N3O3S2

    M.W.:
    363.46

    Type:
    Small molecule

    AlogP:
    3.30

    Polar Surface Area:
    90.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
Page
per page