Compounds

ALA2111939

Name:
(S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperShow More⌵

Mol. Formula:
C21H32N8O

M.W.:
412.54

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
84.75

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA435428

Name:
1-(4-{2,6-Dimethyl-4-[2-(4-methyl-imidazol-1-yl)-pyrimidin-4-yl]-piperazin-Show More⌵

Mol. Formula:
C20H26N8O

M.W.:
394.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
96.09

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA139187

Name:
1-{4-[2,6-Dimethyl-4-(4-methyl-6-phenyl-[1,3,5]triazin-2-yl)-piperazin-1-ylShow More⌵

Mol. Formula:
C22H27N7O

M.W.:
405.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA136900

Name:
1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazinShow More⌵

Mol. Formula:
C21H32N8O

M.W.:
412.54

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
84.75

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA136103

Name:
1-{4-[2,6-Dimethyl-4-(4-phenyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidShow More⌵

Mol. Formula:
C21H25N7O

M.W.:
391.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA342829

Name:
1-{4-[4-(4-Hydroxymethyl-6-methyl-[1,3,5]triazin-2-yl)-2,6-dimethyl-piperazShow More⌵

Mol. Formula:
C17H25N7O2

M.W.:
359.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
111.39

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

(1R)-1-(4-((2R,6S)-4-(4,6-Dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl)pyrimidin-2-yl)ethanol

Name:
1-{4-[4-(4,6-Dimethyl-[1,3,5]triazin-2-yl)-2,6-dimethyl-piperazin-1-yl]-pyrShow More⌵

Mol. Formula:
C17H25N7O

M.W.:
343.44

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA136420

Name:
1-(4-{4-[2-(2,4-Dimethyl-imidazol-1-yl)-pyrimidin-4-yl]-2,6-dimethyl-piperaShow More⌵

Mol. Formula:
C21H28N8O

M.W.:
408.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
96.09

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA342697

Name:
1-{4-[2,6-Dimethyl-4-(4-methyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidShow More⌵

Mol. Formula:
C16H23N7O

M.W.:
329.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
91.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA287890

Name:
(S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-pShow More⌵

Mol. Formula:
C18H26N6O2

M.W.:
358.45

10 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
98.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS