Compounds

ALA5204613

Name:
(S)-2-methyl-5-((1-(3-oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazinShow More⌵

Mol. Formula:
C21H25F6N7O3

M.W.:
537.47

1 activity values

1 unique targets

Type:
---

AlogP:
2.16

Polar Surface Area:
105.48

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5204396

Name:
5-(((2S)-1-(3-oxo-3-(3-(trifluoromethyl)-6,7,7a,8,10,11-hexahydropyrazino[1Show More⌵

Mol. Formula:
C23H26F6N6O4

M.W.:
564.49

1 activity values

1 unique targets

Type:
---

AlogP:
2.91

Polar Surface Area:
112.68

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5202833

Name:
(R)-5-methyl-8-(3-(((S)-1-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4Show More⌵

Mol. Formula:
C24H25F6N7O4

M.W.:
589.50

1 activity values

1 unique targets

Type:
---

AlogP:
1.88

Polar Surface Area:
114.97

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5209116

Name:
8-(3-((S)-2-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)amino)proShow More⌵

Mol. Formula:
C22H23F6N7O4

M.W.:
563.46

1 activity values

1 unique targets

Type:
---

AlogP:
2.08

Polar Surface Area:
132.55

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5193823

Name:
5-(((S)-1-(3-((R)-3-chloro-4-(trifluoromethyl)-6,7,7a,8,10,11-hexahydro-9H-Show More⌵

Mol. Formula:
C23H24ClF6N5O5

M.W.:
599.92

2 activity values

2 unique targets

Type:
---

AlogP:
3.53

Polar Surface Area:
109.88

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5190796

Name:
5-((1-(3-oxo-3-(3-(trifluoromethyl)-5a,6,8,9-tetrahydropyrido[3',2':4,5]imiShow More⌵

Mol. Formula:
C21H22F6N6O4

M.W.:
536.43

1 activity values

1 unique targets

Type:
---

AlogP:
2.48

Polar Surface Area:
112.68

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5183629

Name:
5-(methyl-d3)-8-(3-((S)-2-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-Show More⌵

Mol. Formula:
C23H24F6N6O5

M.W.:
581.49

1 activity values

1 unique targets

Type:
---

AlogP:
2.07

Polar Surface Area:
120.96

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5183278

Name:
5-(((S)-1-(3-oxo-3-((S)-3-(trifluoromethyl)-6a,7,9,10-tetrahydropyrazino[1,Show More⌵

Mol. Formula:
C22H23F6N5O5

M.W.:
551.44

2 activity values

2 unique targets

Type:
---

AlogP:
2.49

Polar Surface Area:
109.88

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5181016

Name:
(S)-8-(3-((S)-2-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)aminoShow More⌵

Mol. Formula:
C24H25F6N7O4

M.W.:
589.50

1 activity values

1 unique targets

Type:
---

AlogP:
2.62

Polar Surface Area:
123.76

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5180425

Name:
(R)-8-(3-((S)-2-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)aminoShow More⌵

Mol. Formula:
C24H25F6N7O4

M.W.:
589.50

1 activity values

1 unique targets

Type:
---

AlogP:
2.62

Polar Surface Area:
123.76

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5177385

Name:
(S)-5-methyl-8-(3-(((S)-1-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4Show More⌵

Mol. Formula:
C24H25F6N7O4

M.W.:
589.50

1 activity values

1 unique targets

Type:
---

AlogP:
1.88

Polar Surface Area:
114.97

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5174619

Name:
5-methyl-8-(3-((S)-2-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)Show More⌵

Mol. Formula:
C23H25F6N7O4

M.W.:
577.49

1 activity values

1 unique targets

Type:
---

AlogP:
2.10

Polar Surface Area:
123.76

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5173659

Name:
5-(((S)-1-(3-((R)-3-chloro-6,7,7a,8,10,11-hexahydro-9H-pyrazino[1,2-d]pyridShow More⌵

Mol. Formula:
C22H25ClF3N5O5

M.W.:
531.92

2 activity values

2 unique targets

Type:
---

AlogP:
2.51

Polar Surface Area:
109.88

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

RBN-2397

Name:
ATAMPARIB

Mol. Formula:
C20H23F6N7O3

M.W.:
523.44

42 activity values

28 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
116.34

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS