Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192568

Name:
(2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)-3-(tShow More⌵

Mol. Formula:
C23H28F3N3O3S

M.W.:
483.56

1 activity values

Type:
---

AlogP:
4.15

Polar Surface Area:
82.53

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5177407

Name:
(2S,4R)-N-(4-bromobenzyl)-4-hydroxy-1-(3,3,3-trifluoropropanoyl)pyrrolidineShow More⌵

Mol. Formula:
C15H16BrF3N2O3

M.W.:
409.20

1 activity values

Type:
---

AlogP:
1.98

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5170870

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

Mol. Formula:
C18H18F3N3O3S

M.W.:
413.42

1 activity values

Type:
---

AlogP:
2.26

Polar Surface Area:
82.53

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4229276

Name:
(2S,4R)-1-((S)-3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl)-4-hydroxy-N-(Show More⌵

Mol. Formula:
C26H34N4O4S

M.W.:
498.65

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
102.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4229225

Name:
(2S,4R)-1-((S)-2-(2-fluoro-2-methylpropanamido)-3,3-dimethylbutanoyl)-4-hydShow More⌵

Mol. Formula:
C26H35FN4O4S

M.W.:
518.66

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4229211

Name:
(2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-NShow More⌵

Mol. Formula:
C27H36N4O4S

M.W.:
512.68

15 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4228963

Name:
(2S,4R)-1-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-4-hydroxyShow More⌵

Mol. Formula:
C24H29F3N4O4S

M.W.:
526.58

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4228950

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

Mol. Formula:
C28H36N4O5S

M.W.:
540.69

15 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
128.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4228750

Name:
(2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-Show More⌵

Mol. Formula:
C21H26N4O3S2

M.W.:
446.60

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
94.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4228692

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

Mol. Formula:
C24H29FN4O5S

M.W.:
504.58

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
131.86

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4228624

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

Mol. Formula:
C28H37N5O5S

M.W.:
555.70

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
140.73

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4228328

Name:
(2S,4R)-1-((S)-3,3-dimethyl-2-propionamidobutanoyl)-4-hydroxy-N-(4-(4-methyShow More⌵

Mol. Formula:
C25H34N4O4S

M.W.:
486.64

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4227893

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

Mol. Formula:
C26H34N4O4S

M.W.:
498.65

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4227864

Name:
(2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)bShow More⌵

Mol. Formula:
C21H26N4O4S

M.W.:
430.53

4 activity values

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
111.63

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4226127

Name:
(2S,4R)-1-((S)-3,3-dimethyl-2-(N-methylacetamido)butanoyl)-4-hydroxy-N-(4-(Show More⌵

Mol. Formula:
C25H34N4O4S

M.W.:
486.64

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
102.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4225985

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

Mol. Formula:
C28H37N5O5S

M.W.:
555.70

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
131.94

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4225856

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

Mol. Formula:
C24H32N4O5S

M.W.:
488.61

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
131.86

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4225714

Name:
(2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-Show More⌵

Mol. Formula:
C26H34N4O5S

M.W.:
514.65