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  1. ALA5221119

    Name:
    N2,N9-bis[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1,10-phenanthroline-2,9Show More

    Mol. Formula:
    C36H24N6O4

    M.W.:
    604.63

    Type:
    ---

    AlogP:
    6.03

    Polar Surface Area:
    149.16

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA5221009

    Name:
    (E)-N-hexyl-1-[9-[(E)-hexyliminomethyl]-1,10-phenanthrolin-2-yl]methanimine

    Mol. Formula:
    C26H34N4

    M.W.:
    402.59

    Type:
    ---

    AlogP:
    6.78

    Polar Surface Area:
    50.50

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA5220989

    Name:
    N2,N9-bis(2-aminoethyl)-1,10-phenanthroline-2,9-dicarboxamide 2,2,2-trifluoShow More

    Mol. Formula:
    C26H24F12N6O10

    M.W.:
    808.49

    Type:
    ---

    AlogP:
    0.16

    Polar Surface Area:
    136.02

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA5220803

    Name:
    tert-butyl N-[2-[[9-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]-1,10-phenaShow More

    Mol. Formula:
    C28H36N6O6

    M.W.:
    552.63

    Type:
    ---

    AlogP:
    3.29

    Polar Surface Area:
    160.64

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA5220725

    Name:
    tert-butyl N-[2-[[9-[[2-(tert-butoxycarbonylamino)ethylamino]methyl]-1,10-pShow More

    Mol. Formula:
    C28H40N6O4

    M.W.:
    524.67

    Type:
    ---

    AlogP:
    4.01

    Polar Surface Area:
    126.50

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. Phen-DC3 Trifluoromethanesulfonate

    Name:
    N2,N9-bis(1-methylquinolin-1-ium-3-yl)-1,10-phenanthroline-2,9-dicarboxamidShow More

    Mol. Formula:
    C36H26F6N6O8S2

    M.W.:
    848.76

    Type:
    ---

    AlogP:
    5.24

    Polar Surface Area:
    91.74

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA5220437

    Name:
    tert-butyl N-[2-[(E)-[9-[(E)-2-(tert-butoxycarbonylamino)ethyliminomethyl]-Show More

    Mol. Formula:
    C28H36N6O4

    M.W.:
    520.63

    Type:
    ---

    AlogP:
    4.67

    Polar Surface Area:
    127.16

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA5220264

    Name:
    1,10-phenanthroline-2,9-dicarbohydrazide

    Mol. Formula:
    C14H12N6O2

    M.W.:
    296.29

    Type:
    ---

    AlogP:
    -0.01

    Polar Surface Area:
    136.02

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  9. ALA5220234

    Name:
    2-[(E)-[9-[(E)-2-hydroxyethyliminomethyl]-1,10-phenanthrolin-2-yl]methyleneShow More

    Mol. Formula:
    C18H18N4O2

    M.W.:
    322.37

    Type:
    ---

    AlogP:
    1.61

    Polar Surface Area:
    90.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA5279043

    Name:
    N3,N7-bis[2-(4-bromophenyl)ethyl]-N3,N7-dimethyl-phenothiazin-5-ium-3,7-diaShow More

    Mol. Formula:
    C30H28Br2IN3S

    M.W.:
    749.35

    Type:
    ---

    AlogP:
    8.61

    Polar Surface Area:
    19.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA5289500

    Name:
    1-[N-[4-(4-guanidinophenyl)sulfanylphenyl]carbamimidoyl]-3-[4-[(1Z,4Z,9Z,15Show More

    Mol. Formula:
    C59H46ClN11OS

    M.W.:
    992.61

    Type:
    ---

    AlogP:
    13.95

    Polar Surface Area:
    196.27

    HBA:
    6

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  12. ALA5268153

    Name:
    1-[N-[4-(4-guanidinophenoxy)phenyl]carbamimidoyl]-3-[4-[(1Z,4Z,9Z,15Z)-10,1Show More

    Mol. Formula:
    C59H46ClN11O2

    M.W.:
    976.54

    Type:
    ---

    AlogP:
    13.59

    Polar Surface Area:
    205.50

    HBA:
    6

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  13. ALA5198560

    Name:
    (3S)-3-amino-1-[(5-methylbenzofuro[3,2-b]quinolin-5-ium-11-yl)amino]-4-phenShow More

    Mol. Formula:
    C26H24N3O2+

    M.W.:
    410.50

    Type:
    ---

    AlogP:
    4.11

    Polar Surface Area:
    72.14

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA5196555

    Name:

    Mol. Formula:
    C40H52N12O12

    M.W.:
    892.93

    Type:
    ---

    AlogP:
    -2.05

    Polar Surface Area:
    389.44

    HBA:
    16

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  15. ALA5205732

    Name:

    Mol. Formula:
    C40H48N8

    M.W.:
    640.88

    Type:
    ---

    AlogP:
    7.07

    Polar Surface Area:
    99.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA5205585

    Name:
    (2S,3S,4R,5S,6S)-2-(2-(2-(4-(2-(9-Ethyl-9H-carbazol-3-yl)-4,5-bis(4-(4-methShow More

    Mol. Formula:
    C55H65N7O8

    M.W.:
    952.17

    Type:
    ---

    AlogP:
    5.72

    Polar Surface Area:
    153.55

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  17. ALA5204394

    Name:

    Mol. Formula:
    C52H58N6O4

    M.W.:
    831.07

    Type:
    ---

    AlogP:
    7.54

    Polar Surface Area:
    91.10

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA5203923

    Name:
    3,9-bis((2-(4,5-dihydro-1H-imidazol-2-yl)hydrazineylidene)methyl)-2,8-di(thShow More

    Mol. Formula:
    C24H22N12S2

    M.W.:
    542.66

    Type:
    ---

    AlogP:
    2.20

    Polar Surface Area:
    132.16

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA5203534

    Name:
    Chrexanthomycin A

    Mol. Formula:
    C31H24O14

    M.W.:
    620.52

    Type:
    ---

    AlogP:
    2.08

    Polar Surface Area:
    241.49

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA5203464

    Name:
    (2S,3S,4R,5R,6S)-2-(2-(2-(2-(9-Ethyl-9H-carbazol-3-yl)-4,5-bis(4-(4-methylpShow More

    Mol. Formula:
    C49H61N7O7

    M.W.:
    860.07

    Type:
    ---

    AlogP:
    4.35

    Polar Surface Area:
    144.32

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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