Compounds

ALA5269969

Name:
(2S,4R)-N-(2-(2-(2-(2-((6-chlorohexyl)oxy)ethoxy)ethoxy)ethoxy)-4-(4-methylShow More⌵

Mol. Formula:
C41H55ClN4O8S

M.W.:
799.43

Type:
---

AlogP:
5.60

Polar Surface Area:
139.76

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5269644

Name:
(2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-Show More⌵

Mol. Formula:
C29H38FN5O5S

M.W.:
587.72

Type:
---

AlogP:
2.41

Polar Surface Area:
140.73

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5274336

Name:
(2S,4R)-1-((R)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-Show More⌵

Mol. Formula:
C29H38FN5O5S

M.W.:
587.72

Type:
---

AlogP:
2.41

Polar Surface Area:
140.73

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5274307

Name:
(S)-19-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrShow More⌵

Mol. Formula:
C57H80N8O14S2

M.W.:
1165.44

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5285978

Name:
(2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-3-(methylShow More⌵

Mol. Formula:
C27H37N5O5S

M.W.:
543.69

Type:
---

AlogP:
1.92

Polar Surface Area:
140.73

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5283593

Name:
(2S,4R)-1-((S)-2-(1-fluorocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-Show More⌵

Mol. Formula:
C29H38FN5O5S

M.W.:
587.72

Type:
---

AlogP:
2.41

Polar Surface Area:
140.73

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5277721

Name:
(2S,4R)-1-((S)-2-(1-cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hShow More⌵

Mol. Formula:
C30H38N6O5S

M.W.:
594.74

Type:
---

AlogP:
2.21

Polar Surface Area:
164.52

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5266076

Name:
methyl 4-(((2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamShow More⌵

Mol. Formula:
C20H28N2O5

M.W.:
376.45

Type:
---

AlogP:
1.49

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5201500

Name:
(2S)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-N-[[4-(4-methylthiazol-5-yl)pheShow More⌵

Mol. Formula:
C22H30N4O2S

M.W.:
414.58

3 activity values

2 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
88.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4783485

Name:
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-phenylacetyl)amino]butanoyl]-4-hydroxy-NShow More⌵

Mol. Formula:
C30H36N4O4S

M.W.:
548.71

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4782620

Name:
[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoShow More⌵

Mol. Formula:
C30H35N3O5S

M.W.:
549.69

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
108.83

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4779321

Name:
3-Methyl-N-{[2-(2-{2-[(4-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}pyrShow More⌵

Mol. Formula:
C50H58F3N9O10S

M.W.:
1034.13

7 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4639001

Name:
(2S,4R)-N-[(2-chlorophenyl)methyl]-4-hydroxy-1-[2-(3-methylisoxazol-5-yl)acShow More⌵

Mol. Formula:
C18H20ClN3O4

M.W.:
377.83

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
95.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

PROTAC RIPK degrader-2

Name:
(2S,4R)-1-((S)-17-(4-(benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinShow More⌵

Mol. Formula:
C52H65N7O11S3

M.W.:
1060.33

12 activity values

4 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3683788

Name:
US9085572, 50

Mol. Formula:
C20H18ClN7O2

M.W.:
423.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
110.49

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3683787

Name:
US9085572, 48

Mol. Formula:
C21H17N5O2

M.W.:
371.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3683786

Name:
US9085572, 47

Mol. Formula:
C16H15N5O2

M.W.:
309.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3683785

Name:
US9085572, 46

Mol. Formula:
C22H19N5O2

M.W.:
385.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3683784

Name:
US9085572, 43

Mol. Formula:
C14H12N4O2

M.W.:
268.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
83.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3683783

Name:
US9085572, 35

Mol. Formula:
C14H13N5O

M.W.:
267.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
89.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS