Compounds

Type:
---

AlogP:
1.29

Polar Surface Area:
102.44

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5219324

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

Mol. Formula:
C18H18N4

M.W.:
290.37

Type:
---

AlogP:
3.66

Polar Surface Area:
50.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

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

ALA5221009

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

Mol. Formula:
C26H34N4

M.W.:
402.59

5 activity values

2 unique targets

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

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

19 activity values

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

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

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

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

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

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

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

ALA5219285

Name:
(E)-N-(4-methoxyphenyl)-1-[9-[(E)-(4-methoxyphenyl)iminomethyl]-1,10-phenanShow More⌵

Mol. Formula:
C28H22N4O2

M.W.:
446.51

Type:
---

AlogP:
6.30

Polar Surface Area:
68.96

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5219126

Name:
4-methoxy-N-[[9-[(4-methoxyanilino)methyl]-1,10-phenanthrolin-2-yl]methyl]aShow More⌵

Mol. Formula:
C28H26N4O2

M.W.:
450.54

19 activity values

Type:
---

AlogP:
6.02

Polar Surface Area:
68.30

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5219106

Name:
2-[[9-[(2-hydroxyethylamino)methyl]-1,10-phenanthrolin-2-yl]methylamino]ethShow More⌵

Mol. Formula:
C18H24Cl2N4O2

M.W.:
399.32

Type:
---

AlogP:
0.95

Polar Surface Area:
90.30

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5218701

Name:
N'-[[9-[(2-aminoethylamino)methyl]-1,10-phenanthrolin-2-yl]methyl]ethane-1,Show More⌵

Mol. Formula:
C26H28F12N6O8

M.W.:
780.52

19 activity values

Type:
---

AlogP:
0.88

Polar Surface Area:
101.88

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5218604

Name:
N-[[9-[(hexylamino)methyl]-1,10-phenanthrolin-2-yl]methyl]hexan-1-amine dihShow More⌵

Mol. Formula:
C26H40Cl2N4

M.W.:
479.54

7 activity values

Type:
---

AlogP:
6.12

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5218492

Name:

Mol. Formula:
C18H17N5O2

M.W.:
335.37