Compounds

ALA4799539

Name:
Methyl 2',4'-difluoro-3'-((3-((4-fluorophenyl)carbamoyl)-1H-pyrazol-4-yl)caShow More⌵

Mol. Formula:
C25H17F3N4O4

M.W.:
494.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
113.18

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4795774

Name:
2,4-difluoro-N3-(3-(4-fluorophenylcarbamoyl)-1H-pyrazol-4-yl)-N3'-((1-methyShow More⌵

Mol. Formula:
C31H29F3N6O3

M.W.:
590.61

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
119.22

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4794559

Name:
4-(2,6-difluoro-3-(6-methoxypyridin-3-yl)benzamido)-N-(4-fluorophenyl)-1H-pShow More⌵

Mol. Formula:
C23H16F3N5O3

M.W.:
467.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
109.00

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4790952

Name:
Riviciclib

Mol. Formula:
C21H21ClNO8P

M.W.:
481.83

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
140.67

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4789896

Name:
2,4-difluoro-N3-(3-((4-fluorophenyl)carbamoyl)-1H-pyrazol-4-yl)-N3'-(2-(4-mShow More⌵

Mol. Formula:
C31H30F3N7O3

M.W.:
605.62

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
122.46

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4787022

Name:
4-(2,4-difluorobiphenyl-3-ylcarboxamido)-N-(4-fluorophenyl)-1H-pyrazole-3-cShow More⌵

Mol. Formula:
C23H15F3N4O2

M.W.:
436.39

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.00

Polar Surface Area:
86.88

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4786351

Name:
2,4,6'-trifluoro-N3-(3-((4-fluorophenyl)carbamoyl)-1H-pyrazol-4-yl)-N3'-(3-Show More⌵

Mol. Formula:
C31H28F4N6O4

M.W.:
624.59

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
128.45

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4783702

Name:
4-(3-(6-aminopyridin-3-yl)-2,6-difluorobenzamido)-N-(4-fluorophenyl)-1H-pyrShow More⌵

Mol. Formula:
C22H15F3N6O2

M.W.:
452.40

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
125.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4782409

Name:
Voruciclib

Mol. Formula:
C22H20ClF3NO8P

M.W.:
549.82

10 activity values

9 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
140.67

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4781622

Name:
2,4-difluoro-N3-(3-((4-fluorophenyl)carbamoyl)-1H-pyrazol-4-yl)-N3'-(3-morpShow More⌵

Mol. Formula:
C31H29F3N6O4

M.W.:
606.61

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
128.45

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4764656

Name:
(R)-4-(5-bromo-4-(1-hydroxypropan-2-ylamino)pyrimidin-2-ylamino)benzenesulfShow More⌵

Mol. Formula:
C13H17BrClN5O3S

M.W.:
438.74

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.42

Polar Surface Area:
130.23

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

MC180295

Name:
(4-amino-2-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylamino)thiazol-5-yl)(2-nitroShow More⌵

Mol. Formula:
C17H18N4O3S

M.W.:
358.42

11 activity values

9 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
111.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4758499

Name:
4-(2,4-difluoro-3'-(hydroxymethyl)-[1,1'-biphenyl]-3-carboxamido)-N-(4-fluoShow More⌵

Mol. Formula:
C24H17F3N4O3

M.W.:
466.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
107.11

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4756704

Name:
2,4-difluoro-N3-(3-(4-fluorophenylcarbamoyl)-1H-pyrazol-4-yl)-6'-methyl-N3'Show More⌵

Mol. Formula:
C32H31F3N6O4

M.W.:
620.63

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
128.45

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4756673

Name:
(2R,3R)-3-(2-(4-((S)-cyclopropanesulfonimidoyl)phenylamino)-5-(trifluorometShow More⌵

Mol. Formula:
C18H21F3N4O3S

M.W.:
430.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
108.19

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4754297

Name:
4-(2,6-difluoro-3-(6-fluoropyridin-3-yl)benzamido)-N-(4-fluorophenyl)-1H-pyShow More⌵

Mol. Formula:
C22H13F4N5O2

M.W.:
455.37

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4751481

Name:
4-(2,4-difluoro-3'-hydroxy-[1,1'-biphenyl]-3-carboxamido)-N-(4-fluorophenylShow More⌵

Mol. Formula:
C23H15F3N4O3

M.W.:
452.39

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
107.11

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4750417

Name:
4-(2,6-difluoro-3-(pyridin-3-yl)benzamido)-N-(4-fluorophenyl)-1H-pyrazole-3Show More⌵

Mol. Formula:
C22H14F3N5O2

M.W.:
437.38

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4749644

Name:
4-(2,6-difluoro-3-(6-methylpyridin-3-yl)benzamido)-N-(4-fluorophenyl)-1H-pyShow More⌵

Mol. Formula:
C23H16F3N5O2

M.W.:
451.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4748292

Name:
(2R,3R)-3-(5-bromo-2-(4-(ethylsulfonimidoyl)phenylamino)pyrimidin-4-yloxy)bShow More⌵

Mol. Formula:
C16H21BrN4O3S

M.W.:
429.34

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
108.19

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS