Compounds

ALA5205484

Name:
1-(4-Fluorophenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydro-4H-[1,2,3]triazoloShow More⌵

Mol. Formula:
C21H14FN5O2

M.W.:
387.37

1 activity values

1 unique targets

Type:
---

AlogP:
3.47

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5205288

Name:
8-(6-Methoxypyridin-3-yl)-1-(p-tolyl)-1,5-dihydro-4H-[1,2,3]-triazolo[4,5-cShow More⌵

Mol. Formula:
C22H17N5O2

M.W.:
383.41

1 activity values

1 unique targets

Type:
---

AlogP:
3.64

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5202446

Name:
8-(6-Methylpyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1Show More⌵

Mol. Formula:
C26H22F3N7O

M.W.:
505.50

1 activity values

1 unique targets

Type:
---

AlogP:
4.06

Polar Surface Area:
91.73

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5199096

Name:
8-(6-Methoxypyridin-3-yl)-1-(3-methyl-4-(piperazin-1-yl)phenyl)-1,5-dihydroShow More⌵

Mol. Formula:
C26H25N7O2

M.W.:
467.53

1 activity values

1 unique targets

Type:
---

AlogP:
3.05

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5194039

Name:
8-(6-methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)phenyl)-1,5-dihydro-4H-[1,2,Show More⌵

Mol. Formula:
C25H23N7O2

M.W.:
453.51

1 activity values

1 unique targets

Type:
---

AlogP:
2.74

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5192566

Name:
8-(6-Methoxypyridin-3-yl)-5-methyl-1-(4-(piperazin-1-yl)-3-(trifluoromethylShow More⌵

Mol. Formula:
C27H24F3N7O2

M.W.:
535.53

1 activity values

1 unique targets

Type:
---

AlogP:
3.77

Polar Surface Area:
90.10

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5190993

Name:
1-(4-Methoxyphenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydro-4H-[1,2,3]triazolShow More⌵

Mol. Formula:
C22H17N5O3

M.W.:
399.41

1 activity values

1 unique targets

Type:
---

AlogP:
3.34

Polar Surface Area:
94.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5190698

Name:
1-(3-Fluoro-4-(piperazin-1-yl)phenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydroShow More⌵

Mol. Formula:
C25H22FN7O2

M.W.:
471.50

1 activity values

1 unique targets

Type:
---

AlogP:
2.88

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5190197

Name:
8-(6-methoxypyridin-3-yl)-1-(4-(4-methylpiperazin-1-yl)phenyl)-1,5-dihydro-Show More⌵

Mol. Formula:
C26H25N7O2

M.W.:
467.53

1 activity values

1 unique targets

Type:
---

AlogP:
3.08

Polar Surface Area:
92.17

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5189953

Name:
1-(4-Chlorophenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydro-4H-[1,2,3]triazoloShow More⌵

Mol. Formula:
C21H14ClN5O2

M.W.:
403.83

1 activity values

1 unique targets

Type:
---

AlogP:
3.99

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5188981

Name:
1-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)-8-(pyridin-3-yl)-1,5-dihydShow More⌵

Mol. Formula:
C25H20F3N7O

M.W.:
491.48

1 activity values

1 unique targets

Type:
---

AlogP:
3.75

Polar Surface Area:
91.73

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5187692

Name:
1-([1,1'-Biphenyl]-4-yl)-8-(6-methoxypyridin-3-yl)-1,5-dihydro-4H-[1,2,3]trShow More⌵

Mol. Formula:
C27H19N5O2

M.W.:
445.48

1 activity values

1 unique targets

Type:
---

AlogP:
5.00

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5184335

Name:
8-(6-Ethoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1Show More⌵

Mol. Formula:
C27H24F3N7O2

M.W.:
535.53

1 activity values

1 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5184068

Name:
N-(6-methoxy-5-methyl-14-oxo-5,6,7,8,9,14,15,16-octahydro-17-oxa-4b,9a,15-tShow More⌵

Mol. Formula:
C35H30N4O4

M.W.:
570.65

1 activity values

1 unique targets

Type:
---

AlogP:
5.91

Polar Surface Area:
77.73

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5184015

Name:
1-(3-Methoxy-4-(piperazin-1-yl)phenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydrShow More⌵

Mol. Formula:
C26H25N7O3

M.W.:
483.53

1 activity values

1 unique targets

Type:
---

AlogP:
2.75

Polar Surface Area:
110.19

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5182037

Name:
5-(4-Methoxybenzyl)-8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifShow More⌵

Mol. Formula:
C34H30F3N7O3

M.W.:
641.65

1 activity values

1 unique targets

Type:
---

AlogP:
5.29

Polar Surface Area:
99.33

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5179811

Name:
8-(6-Methoxypyridin-3-yl)-1-phenyl-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quiShow More⌵

Mol. Formula:
C21H15N5O2

M.W.:
369.38

3 activity values

3 unique targets

Type:
---

AlogP:
3.33

Polar Surface Area:
85.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5177849

Name:
8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-2-(trifluoromethyl)phenyl)-Show More⌵

Mol. Formula:
C26H22F3N7O2

M.W.:
521.50

1 activity values

1 unique targets

Type:
---

AlogP:
3.76

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5174723

Name:
1-(3-Chloro-4-(piperazin-1-yl)phenyl)-8-(6-methoxypyridin-3-yl)-1,5-dihydroShow More⌵

Mol. Formula:
C25H22ClN7O2

M.W.:
487.95

1 activity values

1 unique targets

Type:
---

AlogP:
3.40

Polar Surface Area:
100.96

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5174394

Name:
1-(2-(thiazol-2-yl)vinyl)naphthalen-2-ol

Mol. Formula:
C15H11NOS

M.W.:
253.33

1 activity values

1 unique targets

Type:
---

AlogP:
4.17

Polar Surface Area:
33.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS