Compounds

ALA5281143

Name:
2-(5-(1-(4-chlorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More⌵

Mol. Formula:
C20H13ClN2O4S2

M.W.:
444.92

Type:
---

AlogP:
3.54

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5276327

Name:
3-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More⌵

Mol. Formula:
C21H15FN2O4S2

M.W.:
442.49

Type:
---

AlogP:
3.42

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5273280

Name:
5-(1-(4-methylbenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidine-3-Show More⌵

Mol. Formula:
C20H14N2O4S2

M.W.:
410.48

Type:
---

AlogP:
3.79

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5284400

Name:
(S)-6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-yn-1-yl)pyrimidineShow More⌵

Mol. Formula:
C22H23N5O

M.W.:
373.46

Type:
---

AlogP:
3.43

Polar Surface Area:
99.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5283880

Name:
(2R,2'R,4a'S,6'R,8a'S)-2',5',5',8a'-tetraethyl-4,6'-dihydroxy-3',4',4a',5',Show More⌵

Mol. Formula:
C27H38O5

M.W.:
442.60

Type:
---

AlogP:
5.53

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5289313

Name:
2-(5-(1-(2-chlorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More⌵

Mol. Formula:
C20H13ClN2O4S2

M.W.:
444.92

Type:
---

AlogP:
3.54

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5287382

Name:
3-(5-(2,4-diamino-6-propylbenzyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1Show More⌵

Mol. Formula:
C33H38N4O3

M.W.:
538.69

Type:
---

AlogP:
6.31

Polar Surface Area:
103.17

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4588910

Name:
(R)-6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,Show More⌵

Mol. Formula:
C22H23N5O

M.W.:
373.46

19 activity values

3 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
99.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4581145

Name:
5-(3-(3,4-Dimethoxy-5-(pyridin-4-yl)phenyl)prop-1-ynyl)-6-ethylpyrimidine-2Show More⌵

Mol. Formula:
C22H23N5O2

M.W.:
389.46

18 activity values

2 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
109.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4532935

Name:
6-ethyl-5-(3-(7-(pyridin-4-yl)benzo[d][1,3]dioxol-5-yl)but-1-ynyl)pyrimidinShow More⌵

Mol. Formula:
C22H21N5O2

M.W.:
387.44

22 activity values

4 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
109.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4483572

Name:
(R)-6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,Show More⌵

Mol. Formula:
C22H23N5O

M.W.:
373.46

23 activity values

3 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
99.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4483336

Name:
(R)-6-ethyl-5-(3-(7-(pyridin-4-yl)benzo[d][1,3]dioxol-5-yl)but-1-ynyl)pyrimShow More⌵

Mol. Formula:
C22H21N5O2

M.W.:
387.44

19 activity values

3 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
109.17

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3828772

Name:
(S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3828771

Name:
3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-ynyl)-5'-methoxybiphenyl-4-Show More⌵

Mol. Formula:
C23H22N4O3

M.W.:
402.45

23 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3828581

Name:
(S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-5'-methoxybipheShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

37 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3828485

Name:
6-Ethyl-5-[3S-(3-methoxy-5-(4-carboxyphenyl)-phenyl)-but-1-ynyl]-pyrimidineShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

39 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3827760

Name:
(R)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More⌵

Mol. Formula:
C26H28N4O5

M.W.:
476.53

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3827326

Name:
(S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More⌵

Mol. Formula:
C26H28N4O5

M.W.:
476.53

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3828291

Name:
6-Ethyl-5-[3-(3-methoxy-5-(4-carboxyphenyl)-phenyl)-prop-1-ynyl]-pyrimidineShow More⌵

Mol. Formula:
C25H23F3N4O5

M.W.:
516.48

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3827532

Name:
6-Ethyl-5-[3-(2-methoxy-5-(4-carboxyphenyl)-phenyl)-prop-1-ynyl]-pyrimidineShow More⌵

Mol. Formula:
C23H22N4O3

M.W.:
402.45

40 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
124.35

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS