Compounds

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4483633

Name:
2-chloro-N-(1H-indazol-5-yl)-6-(1H-tetrazol-1-yl)b
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Mol. Formula:
C15H10ClN7O

M.W.:
339.75

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4476828

Name:
4-{[1-(5-Cyanopyridin-2-yl)piperidin-4-yl]amino}-6
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Mol. Formula:
C25H24N8O2

M.W.:
468.52

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
145.99

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4476801

Name:
N-[5-methyl-4-[7-[(2-morpholinoacetyl)amino]-1H-in
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Mol. Formula:
C23H26N6O3

M.W.:
434.50

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
112.24

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4474807

Name:
4-(1-(1-((4-Methoxyphenyl)sulfonyl)piperidin-4-yl)
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Mol. Formula:
C21H22N6O3S

M.W.:
438.51

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
106.00

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4540569

Name:
3-amino-N-(2-chlorophenyl)-1H-indazole-5-carboxami
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Mol. Formula:
C14H11ClN4O

M.W.:
286.72

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4537718

Name:
N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom
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Mol. Formula:
C23H27N7O

M.W.:
417.52

12 activity values

7 unique targets

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
123.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4536860

Name:
2,6-Dimethyl-N-[3-[5-methyl-2-[(1-methylpyrazol-4-
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Mol. Formula:
C25H24N8O

M.W.:
452.52

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
113.41

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4536384

Name:
4-(1-(Cyclopentylmethyl)-5-methyl-1H-1,2,3-triazol
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Mol. Formula:
C15H18N6

M.W.:
282.35

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
72.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4536348

Name:
4-(1-(cyclohexylmethyl)-5-methyl-1H-1,2,3-triazol-
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Mol. Formula:
C16H20N6

M.W.:
296.38

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
72.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4525281

Name:
4-(1-(1-Tosylpiperidin-4-yl)-1H-pyrazol-4-yl)-7H-p
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Mol. Formula:
C21H22N6O2S

M.W.:
422.51

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
96.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4525213

Name:
N-(3-amino-1H-indazol-5-yl)-2,3-dichlorobenzamide

Mol. Formula:
C14H10Cl2N4O

M.W.:
321.17

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4524376

Name:
4-(1-(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)-
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Mol. Formula:
C20H19ClN6O2S

M.W.:
442.93

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
96.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4523034

Name:
4-{[1-(5-Cyanopyridin-2-yl)piperidin-4-yl]amino}-6
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Mol. Formula:
C25H24N8O2

M.W.:
468.52

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
145.99

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4532636

Name:
4-(5-Methyl-1H-1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-
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Mol. Formula:
C9H8N6

M.W.:
200.21

Type:
Unknown

AlogP:
1.05

Polar Surface Area:
83.14

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4532227

Name:
N-(3-amino-1H-indazol-5-yl)-2-(1H-tetrazol-1-yl)be
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Mol. Formula:
C15H12N8O

M.W.:
320.32

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
127.40

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4559234

Name:
4-(1-(1-((4-Fluorophenyl)sulfonyl)piperidin-4-yl)-
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Mol. Formula:
C20H19FN6O2S

M.W.:
426.48

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
96.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4559204

Name:
N-(3-amino-1H-indazol-5-yl)-2,5-dichlorobenzamide

Mol. Formula:
C14H10Cl2N4O

M.W.:
321.17

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4555943

Name:
3-amino-N-(2,6-dichlorophenyl)-1H-indazole-5-carbo
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Mol. Formula:
C14H10Cl2N4O

M.W.:
321.17

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
83.80

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4554788

Name:
1-(4-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyraz
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Mol. Formula:
C20H25N7O

M.W.:
379.47