Compounds

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
110.24

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4647188

Name:
N-(2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C25H33Cl2N7O2S

M.W.:
566.56

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
96.25

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4647117

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-((R)-1-(3-(methylsulfonylShow More⌵

Mol. Formula:
C26H34Cl2N6O2S

M.W.:
565.57

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
84.22

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4645456

Name:
(R)-1-(1-(2,4-Dichlorophenyl)ethyl)-6-(3-(1-ethylpiperidin-4-yl)azetidin-1-Show More⌵

Mol. Formula:
C24H30Cl2N6

M.W.:
473.45

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4645325

Name:
N-(2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C28H37Cl2N7O

M.W.:
558.56

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
79.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4645037

Name:
2-((R)-3-(1-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]Show More⌵

Mol. Formula:
C24H25Cl2N7O2

M.W.:
514.42

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
111.17

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4644412

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-((R)-1-(3,3,3-trifluoroprShow More⌵

Mol. Formula:
C25H29Cl2F3N6

M.W.:
541.45

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4643839

Name:
6-(3-((R)-1-(Cyanomethyl)piperidin-3-yl)azetidin-1-yl)-1-((R)-1-(2,4-dichloShow More⌵

Mol. Formula:
C24H24Cl2N8

M.W.:
495.42

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
97.66

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4643609

Name:
2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-bShow More⌵

Mol. Formula:
C24H31Cl2N7O2S

M.W.:
552.53

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
110.24

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4643158

Name:
3-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-bShow More⌵

Mol. Formula:
C25H30Cl2N6O2

M.W.:
517.46

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
87.38

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4643066

Name:
Ethyl 2-(3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4Show More⌵

Mol. Formula:
C26H32Cl2N6O2

M.W.:
531.49

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
76.38

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4642563

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(3-((R)-1-(2-hydroxyethyl)piperidin-3Show More⌵

Mol. Formula:
C24H29Cl2N7O2

M.W.:
518.45

6 activity values

2 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
113.40

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4642090

Name:
2-[3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-pyrazolo[3,4-b]pyrazShow More⌵

Mol. Formula:
C24H31Cl2N7O2S

M.W.:
552.53

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
110.24

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4641873

Name:
3-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-bShow More⌵

Mol. Formula:
C25H32Cl2N6O

M.W.:
503.48

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
70.31

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4641721

Name:
(R)-1-(1-(2,4-Dichlorophenyl)ethyl)-3-methyl-6-(3-(piperidin-1-yl)azetidin-Show More⌵

Mol. Formula:
C22H26Cl2N6

M.W.:
445.40

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4641595

Name:
Methyl (2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazoShow More⌵

Mol. Formula:
C26H33Cl2N7O2

M.W.:
546.50

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
88.41

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4641127

Name:
N-(2-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C26H33Cl2N7O

M.W.:
530.50

6 activity values

2 unique targets

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
79.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4640909

Name:
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-(3-((R)-1-(3,3,3-trifluoropropyl)pipeShow More⌵

Mol. Formula:
C25H26Cl2F3N7

M.W.:
552.43

Type:
Unknown

AlogP:
5.71

Polar Surface Area:
73.87

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4640439

Name:
3-((R)-3-(1-(1-((R)-1-(2,4-Dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-bShow More⌵

Mol. Formula:
C25H31Cl2N7O

M.W.:
516.48

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
93.17

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4639600

Name:
6-(3-((R)-1-((1H-Imidazol-5-yl)methyl)piperidin-3-yl)-azetidin-1-yl)-1-((R)Show More⌵

Mol. Formula:
C26H27Cl2N9

M.W.:
536.47