Compounds

5 unique targets

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
103.69

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3601468

Name:
2-(1H-indazol-4-yl)-4-morpholinopyrrolo[1,2-f][1,2,4]triazine

Mol. Formula:
C17H16N6O

M.W.:
320.36

5 unique targets

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
71.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3601465

Name:
5-(4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine

Mol. Formula:
C14H15N7O

M.W.:
297.32

5 unique targets

Type:
Small molecule

AlogP:
0.61

Polar Surface Area:
94.46

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3582294

Name:
2-Fluoro-4-(8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl)-N-mShow More⌵

Mol. Formula:
C25H18F2N4O

M.W.:
428.44

56 activity values

31 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3527002

Name:
10-((4-oxopiperidin-1-yl)methyl)chromeno[4,3,2-de]phthalazin-3(2H)-one

Mol. Formula:
C20H17N3O3

M.W.:
347.37

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
75.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3414934

Name:
(S)-2-(6-(1-(8-fluoro-6-(3-methylisoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridShow More⌵

Mol. Formula:
C23H18FN5O4

M.W.:
447.43

4 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
115.64

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3414933

Name:
(S)-2-(6-(1-(8-fluoro-6-(3-methylisoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridShow More⌵

Mol. Formula:
C23H20FN5O3

M.W.:
433.44

4 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
98.57

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3132969

Name:
3-(3-Methoxyphenyl)-N,5-dimethyl-N-(6-(trifluoromethyl)pyridin-3-yl)isoxazoShow More⌵

Mol. Formula:
C19H16F3N3O3

M.W.:
391.35

4 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
68.46

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3092907

Name:
2-[8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-purin-9-yl]ethanoShow More⌵

Mol. Formula:
C19H24Cl2N6O

M.W.:
423.35

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
70.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3092904

Name:
2-Methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-8-[3-(trifluoromShow More⌵

Mol. Formula:
C23H28ClF3N6O

M.W.:
496.97

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3092903

Name:
2-Methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-8-[2-(trifluoromShow More⌵

Mol. Formula:
C23H28ClF3N6O

M.W.:
496.97

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3092902

Name:
8-(3-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-Show More⌵

Mol. Formula:
C22H28Cl2N6O

M.W.:
463.41

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3092898

Name:
8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[(3S)-tetrahydrofuShow More⌵

Mol. Formula:
C21H26Cl2N6O

M.W.:
449.39

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3092895

Name:
1-[2-[8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9H-purin-9-yl]Show More⌵

Mol. Formula:
C23H29Cl2N7O

M.W.:
490.44

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
70.39

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3092894

Name:
N-[2-[8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9H-purin-9-yl]Show More⌵

Mol. Formula:
C21H27Cl2N7O

M.W.:
464.40

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
79.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3092893

Name:
2-[8-(2-Chlorophenyl)-9-(2-methoxyethyl)-2-methyl-purin-6-yl]-1,3,4,7,8,8a-Show More⌵

Mol. Formula:
C22H26Cl2N6O2

M.W.:
477.40

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
76.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3092892

Name:
1-[4-[8-(2-Chlorophenyl)-9-(2-methoxyethyl)-2-methylpurin-6-yl]piperazin-1-Show More⌵

Mol. Formula:
C21H26Cl2N6O2

M.W.:
465.39

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
76.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3092890

Name:
8-(4-Methoxy-2-methyl-phenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-tetrahyShow More⌵

Mol. Formula:
C24H33ClN6O2

M.W.:
473.02

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
68.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3092889

Name:
8-(2-Ethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yShow More⌵

Mol. Formula:
C24H33ClN6O

M.W.:
457.02

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
59.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3092888

Name:
2-Methyl-6-(4-methylpiperazin-1-yl)-8-(o-tolyl)-9-tetrahydropyran-4-yl-puriShow More⌵

Mol. Formula:
C23H31ClN6O

M.W.:
443.00