Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5094989

Name:
2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenylethanone

Mol. Formula:
C11H11N3OS

M.W.:
233.30

13 activity values

5 unique targets

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
54.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5094958

Name:
(4R)-4-[(8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)-4,5,7,8,9,9a-hexahydro-3H-Show More⌵

Mol. Formula:
C31H40Cl2N4O5

M.W.:
619.59

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
125.20

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5094952

Name:
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetShow More⌵

Mol. Formula:
C21H21N3O6S

M.W.:
443.48

Type:
Unknown

AlogP:
0.73

Polar Surface Area:
109.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5094948

Name:
2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl)-N-(2-fluoro-4-(5-isopropoxypyShow More⌵

Mol. Formula:
C25H28FN5O4S

M.W.:
513.60

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
123.17

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5094945

Name:
5-allyl-N-(1,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)-1,2-dihyShow More⌵

Mol. Formula:
C25H21F3N2O3

M.W.:
454.45

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5094941

Name:
N-{[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl}-2-(3,4-difluorophShow More⌵

Mol. Formula:
C16H14F2N6O3

M.W.:
376.32

Type:
Unknown

AlogP:
0.26

Polar Surface Area:
118.01

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5094940

Name:
2-((7-amino-6-fluorobenzo[d]oxazol-2-yl)amino)-4-(2-chloro-4-methylphenyl)-Show More⌵

Mol. Formula:
C26H23ClF4N8O2

M.W.:
590.97

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
135.39

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5094936

Name:
N1-(7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-Show More⌵

Mol. Formula:
C29H32N8O

M.W.:
508.63

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
107.01

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5094932

Name:
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-Show More⌵

Mol. Formula:
C20H13F6N7OS

M.W.:
513.43

19 activity values

10 unique targets

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
98.48

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5094931

Name:
N-[[5-(5-fluoro-2-hydroxy-phenyl)-1H-pyrazol-3-yl]methyl]-2-(trifluoromethoShow More⌵

Mol. Formula:
C18H13F4N3O3

M.W.:
395.31

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
87.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5094925

Name:
N-(pyrimidin-4-ylmethyl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-aShow More⌵

Mol. Formula:
C12H9F3N6

M.W.:
294.24

2 unique targets

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
79.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5094918

Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3Show More⌵

Mol. Formula:
C26H29N3O7S

M.W.:
527.60

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
108.85

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5094917

Name:
2-(2-(ethylsulfonamido)pyrimidin-4-yl)-2-methyl-N-(4-(6-(trifluoromethyl)pyShow More⌵

Mol. Formula:
C21H21F3N6O3S

M.W.:
494.50

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
126.83

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5094912

Name:
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(2-methoShow More⌵

Mol. Formula:
C24H18F6N4O3

M.W.:
524.42

Type:
Unknown

AlogP:
6.45

Polar Surface Area:
82.18

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5094911

Name:
(R)-4-(ethylsulfonamido)-N-(4-methyl-6-(2-methylmorpholino)pyridin-2-yl)-2-Show More⌵

Mol. Formula:
C27H37N5O4S

M.W.:
527.69

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
103.87

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5094909

Name:
4-((R)-2-hydroxy-1-methylethylsulfonamido)-N-(2-((R)-2-methylmorpholino)pyrShow More⌵

Mol. Formula:
C26H36N6O5S

M.W.:
544.68

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
136.99

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5094906

Name:
N-(1-(2,4-bis(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-5-(3-chloropyridin-2Show More⌵

Mol. Formula:
C21H12ClF6N5O2

M.W.:
515.80

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
85.84

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5094904

Name:
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-6-(cyclobutShow More⌵

Mol. Formula:
C27H37N5O3S

M.W.:
511.69