Compounds

ALA4101473

Name:
(R)-2-(7-(3,5-diethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3Show More⌵

Mol. Formula:
C22H29N3O5S

M.W.:
447.56

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
92.29

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4099082

Name:
(R)-2-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(Show More⌵

Mol. Formula:
C22H29N3O5S

M.W.:
447.56

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
92.29

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4094720

Name:
(R)-2-(7-(3,5-diethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3Show More⌵

Mol. Formula:
C24H33N3O5S

M.W.:
475.61

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
92.29

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4091241

Name:
(R)-2-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(Show More⌵

Mol. Formula:
C20H25N3O5S

M.W.:
419.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
92.29

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4090296

Name:
(R)-methyl 4-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazShow More⌵

Mol. Formula:
C23H29N3O7S

M.W.:
491.57

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
118.59

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4086680

Name:
(R)-N-hydroxy-2-(7-(3-nitrophenoxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-Show More⌵

Mol. Formula:
C17H18N4O5S

M.W.:
390.42

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
116.97

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4085933

Name:
(R)-2-(7-((4,5-dimethylthiazol-2-yl)methoxy)-4,5-dihydrobenzo[f][1,2,5]thiaShow More⌵

Mol. Formula:
C19H26N4O3S2

M.W.:
422.58

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
86.72

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4083559

Name:
(R)-2-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(Show More⌵

Mol. Formula:
C23H31N3O5S

M.W.:
461.58

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
92.29

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4082871

Name:
(R)-methyl 5-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazShow More⌵

Mol. Formula:
C24H31N3O7S

M.W.:
505.59

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
118.59

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4080381

Name:
(R)-2-(7-(3,5-dimethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(Show More⌵

Mol. Formula:
C24H34N4O7S2

M.W.:
554.69

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
138.46

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4074789

Name:
(R)-2-(7-((2,6-dimethylpyridin-4-yl)methoxy)-4,5-dihydrobenzo[f][1,2,5]thiaShow More⌵

Mol. Formula:
C19H24N4O3S

M.W.:
388.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
86.72

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4072035

Name:
(R)-2-(7-(benzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)-N-hydShow More⌵

Mol. Formula:
C21H27N3O3S

M.W.:
401.53

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
73.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4068774

Name:
(R)-methyl 5-(7-(3,5-diethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazeShow More⌵

Mol. Formula:
C26H35N3O7S

M.W.:
533.65

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
118.59

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4064826

Name:
(R)-N-hydroxy-2-(7-(4-(trifluoromethyl)phenoxy)-4,5-dihydrobenzo[f][1,2,5]tShow More⌵

Mol. Formula:
C18H18F3N3O3S

M.W.:
413.42

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
73.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4063407

Name:
(R)-N-hydroxy-2-(7-hydroxy-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)Show More⌵

Mol. Formula:
C14H21N3O3S

M.W.:
311.41

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
84.83

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4062295

Name:
(R)-methyl 4-(7-(3,5-diethoxybenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazeShow More⌵

Mol. Formula:
C25H33N3O7S

M.W.:
519.62

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
118.59

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4061644

Name:
(R)-2-(7-(3,5-dichlorobenzyloxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3Show More⌵

Mol. Formula:
C18H19Cl2N3O3S

M.W.:
428.34

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
73.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4061402

Name:
(R)-N-hydroxy-2-(7-(4-nitrophenoxy)-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-Show More⌵

Mol. Formula:
C17H18N4O5S

M.W.:
390.42

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
116.97

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA537229

Name:
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoShow More⌵

Mol. Formula:
C24H26ClN3O4

M.W.:
455.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
100.55

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA559170

Name:
2-((5S,6R)-2,4-dioxo-1,3-diaza-spiro[4.4]non-6-yl)-N-[4-(2-methyl-quinolin-Show More⌵

Mol. Formula:
C26H27ClN4O4

M.W.:
494.98

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
109.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS