Compounds

ALA4543795

Name:
(S)-N-(4-ethoxyphenyl)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pShow More⌵

Mol. Formula:
C25H29N3O5

M.W.:
451.52

10 activity values

8 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
89.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4465328

Name:
(S)-N-(benzofuran-5-yl)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]Show More⌵

Mol. Formula:
C25H25N3O5

M.W.:
447.49

9 activity values

7 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
93.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4448983

Name:
(S)-N-(2,3-dihydro-1H-inden-5-yl)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1Show More⌵

Mol. Formula:
C26H29N3O4

M.W.:
447.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4444300

Name:
(S)-methyl 5-(4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,Show More⌵

Mol. Formula:
C27H27N3O7

M.W.:
505.53

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
119.67

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4443022

Name:
(S)-N-(2,3-dihydrobenzofuran-5-yl)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-Show More⌵

Mol. Formula:
C25H27N3O5

M.W.:
449.51

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
89.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4439902

Name:
(S)-methyl 4-(5-(4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrroloShow More⌵

Mol. Formula:
C33H33N5O8

M.W.:
627.65

9 activity values

7 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
153.70

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4438759

Name:
(S)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]dShow More⌵

Mol. Formula:
C26H31N3O5

M.W.:
465.55

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
89.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4435871

Name:
(S)-4-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]dShow More⌵

Mol. Formula:
C24H27N3O5

M.W.:
437.50

9 activity values

7 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
89.46

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4218937

Name:
(R)-5-(2-(5-cyano-2-(hydroxymethyl)phenylamino)pyrimidin-4-yl)-3-(hydroxymeShow More⌵

Mol. Formula:
C23H20N6O2

M.W.:
412.45

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
137.88

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4218285

Name:
(R)-3-(4-(7-cyano-3-(hydroxymethyl)-3-methylindolin-5-yl)pyrimidin-2-ylaminShow More⌵

Mol. Formula:
C24H24N6O2

M.W.:
428.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
122.96

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4216964

Name:
(R)-5-(2-(5-cyano-2-methyl-4-(2-morpholinoethyl)phenylamino)pyrimidin-4-yl)Show More⌵

Mol. Formula:
C29H31N7O2

M.W.:
509.61

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
130.12

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4216017

Name:
(R)-5-(2-(5-cyano-4-fluoro-2-methylphenylamino)pyrimidin-4-yl)-3-(hydroxymeShow More⌵

Mol. Formula:
C23H19FN6O

M.W.:
414.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
117.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4214523

Name:
(R)-3-(4-(7-cyano-3-(hydroxymethyl)-3-methylindolin-5-yl)pyrimidin-2-ylaminShow More⌵

Mol. Formula:
C26H28N6O3

M.W.:
472.55

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
132.19

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4212714

Name:
(R)-5-(2-(5-cyano-2-cyclopropoxyphenylamino)pyrimidin-4-yl)-3-(hydroxymethyShow More⌵

Mol. Formula:
C25H22N6O2

M.W.:
438.49

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
126.88

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4211990

Name:
(3R)-5-(2-(5-cyano-2-(4-fluoro-1-methylpyrrolidin-3-yloxy)phenylamino)pyrimShow More⌵

Mol. Formula:
C27H26FN7O2

M.W.:
499.55

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
130.12

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4211563

Name:
(R)-5-(2-(5-cyano-2-methylphenylamino)-5-fluoropyrimidin-4-yl)-3-(hydroxymeShow More⌵

Mol. Formula:
C23H19FN6O

M.W.:
414.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
117.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4211057

Name:
(R)-5-(2-(5-cyano-2-(2-hydroxy-2-methylpropoxy)phenylamino)pyrimidin-4-yl)-Show More⌵

Mol. Formula:
C26H26N6O3

M.W.:
470.53

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
147.11

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4207209

Name:
(R)-5-(2-(4-fluoro-5-(hydroxymethyl)-2-methylphenylamino)pyrimidin-4-yl)-3-Show More⌵

Mol. Formula:
C23H22FN5O2

M.W.:
419.46

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
114.09

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4206684

Name:
(3R)-5-[2-[5-[dideuterio(hydroxy)methyl]-2-methyl-anilino]pyrimidin-4-yl]-3Show More⌵

Mol. Formula:
C23H23N5O2

M.W.:
403.48

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
114.09

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4202865

Name:
(R)-3-(hydroxymethyl)-5-(2-(5-(hydroxymethyl)-2-isopropoxyphenylamino)pyrimShow More⌵

Mol. Formula:
C25H27N5O3

M.W.:
445.52

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
123.32

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS