Compounds

ALA3357633

Name:
(S)-(1-methyl-1H-benzo[d]imidazol-2-yl)methyl 2-(((S)-3-bromo-4,5-dihydroisShow More⌵

Mol. Formula:
C19H22BrN5O4

M.W.:
464.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
98.05

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3357632

Name:
(S)-(1H-benzo[d]imidazol-2-yl)methyl 2-(((S)-3-bromo-4,5-dihydroisoxazol-5-Show More⌵

Mol. Formula:
C18H20BrN5O4

M.W.:
450.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
108.91

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3357631

Name:
(S)-(R)-1-(Quinolin-3-yl)ethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)meShow More⌵

Mol. Formula:
C21H23BrN4O4

M.W.:
475.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3357630

Name:
(S)-(R)-1-(Naphthalen-2-yl)ethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)Show More⌵

Mol. Formula:
C22H24BrN3O4

M.W.:
474.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3357629

Name:
(S)-(S)-1-(Naphthalen-2-yl)ethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)Show More⌵

Mol. Formula:
C22H24BrN3O4

M.W.:
474.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3357628

Name:
(S)-Quinoxalin-2-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)Show More⌵

Mol. Formula:
C19H20BrN5O4

M.W.:
462.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
106.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3357627

Name:
(S)-Quinolin-4-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)caShow More⌵

Mol. Formula:
C20H21BrN4O4

M.W.:
461.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3357626

Name:
(S)-Pyridin-4-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)caShow More⌵

Mol. Formula:
C16H19BrN4O4

M.W.:
411.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3357625

Name:
(S)-Pyridin-3-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)caShow More⌵

Mol. Formula:
C16H19BrN4O4

M.W.:
411.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3357624

Name:
(S)-Pyridin-2-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)caShow More⌵

Mol. Formula:
C16H19BrN4O4

M.W.:
411.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3357623

Name:
(S)-3-(Benzyloxy)benzyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)caShow More⌵

Mol. Formula:
C24H26BrN3O5

M.W.:
516.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
89.46

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3357622

Name:
(S)-2,3-Dimethoxybenzyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)caShow More⌵

Mol. Formula:
C19H24BrN3O6

M.W.:
470.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
98.69

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3357621

Name:
(S)-4-Ethynylbenzyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)carbaShow More⌵

Mol. Formula:
C19H20BrN3O4

M.W.:
434.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3357620

Name:
(S)-3-Fluorobenzyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)carbamShow More⌵

Mol. Formula:
C17H19BrFN3O4

M.W.:
428.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3357619

Name:
(S)-Benzyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)-carbamoyl)pyrrShow More⌵

Mol. Formula:
C17H20BrN3O4

M.W.:
410.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3357618

Name:
(S)-Prop-2-yn-1-yl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)-methyl)carbamShow More⌵

Mol. Formula:
C13H16BrN3O4

M.W.:
358.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3357617

Name:
(S)-tert-Butyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)-carbamoyl)Show More⌵

Mol. Formula:
C14H22BrN3O4

M.W.:
376.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
80.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3357616

Name:
1-(((3R,5S)-5-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyl)-carbamoyl)-1-Show More⌵

Mol. Formula:
C26H28BrN5O7

M.W.:
602.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
159.52

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3357615

Name:
(2S,4R)-quinolin-3-ylmethyl 2-(((S)-3-bromo-4,5-dihydroisoxazol-5-yl)methylShow More⌵

Mol. Formula:
C25H24BrN7O5

M.W.:
582.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
148.00

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3357614

Name:
(2S,4R)-Quinolin-3-ylmethyl 2-((((S)-3-Bromo-4,5-dihydroisoxazol-5-yl)methyShow More⌵

Mol. Formula:
C26H25BrN6O5

M.W.:
581.43

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
135.11

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS