Compounds

ALA4085494

Name:
{5-methoxy-2-[2-oxo-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}piperidin-1-Show More⌵

Mol. Formula:
C20H22BF3N2O5

M.W.:
438.21

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4063918

Name:
{5-chloro-2-[2-oxo-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}piperidin-1-yShow More⌵

Mol. Formula:
C19H19BClF3N2O4

M.W.:
442.63

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3676941

Name:
US8921404, 11

Mol. Formula:
C14H17N3O3

M.W.:
275.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
68.46

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3676940

Name:
US8921404, 10

Mol. Formula:
C13H14ClN3O3

M.W.:
295.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
68.46

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3676937

Name:
US8921404, 5

Mol. Formula:
C14H16N2O2S

M.W.:
276.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3676936

Name:
US8921404, 4

Mol. Formula:
C13H15N3O2S

M.W.:
277.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.92

Polar Surface Area:
55.32

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3676935

Name:
US8921404, 3

Mol. Formula:
C14H12ClF3N2O3

M.W.:
348.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3676934

Name:
US8921404, 2

Mol. Formula:
C13H15N3O3

M.W.:
261.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
68.46

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3639386

Name:
US8921404, 1

Mol. Formula:
C14H15ClN2O3

M.W.:
294.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3401172

Name:
(trans)-2-Methoxy-7-methyl-5-octadecyl-2-oxo-2,3,4,5-tetrahydro-2lambda*5*-Show More⌵

Mol. Formula:
C27H51O5P

M.W.:
486.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.96

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3401171

Name:
(trans)-5-Hexadecyl-2-methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambda*5*-Show More⌵

Mol. Formula:
C25H47O5P

M.W.:
458.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.18

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3401170

Name:
(trans)-5-Dodecyl-2-methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambda*5*-[1Show More⌵

Mol. Formula:
C21H39O5P

M.W.:
402.51

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3401169

Name:
Methyl 3,3-difluoro-2-(hexadecyloxy)-7-methyl-2,3,4,5-tetrahydro-1,2-oxaphoShow More⌵

Mol. Formula:
C24H43F2O5P

M.W.:
480.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
8.53

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3401168

Name:
Methyl 2-(hexadecyloxy)-4-methyl-6,7-dihydro-1,3,2-dioxaphosphepine-5-carboShow More⌵

Mol. Formula:
C23H43O6P

M.W.:
446.57

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.48

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3401167

Name:
(+/-)-(cis)-3-(hexadecyloxy)-1-methyl-4,5,5a,6-tetrahydrofuro[3,4-e][1,2]oxShow More⌵

Mol. Formula:
C24H43O5P

M.W.:
442.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.54

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3401166

Name:
(+/-)-(trans)-3-(hexadecyloxy)-1-methyl-4,5,5a,6-tetrahydrofuro[3,4-e][1,2]Show More⌵

Mol. Formula:
C24H43O5P

M.W.:
442.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.54

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3401165

Name:
(+/-)-(cis)-1-methyl-3-(pentadecyloxy)-4,5,5a,6-tetrahydrofuro[3,4-e][1,2]oShow More⌵

Mol. Formula:
C23H41O5P

M.W.:
428.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.15

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3401164

Name:
(+/-)-(trans)-1-methyl-3-(pentadecyloxy)-4,5,5a,6-tetrahydrofuro[3,4-e][1,2Show More⌵

Mol. Formula:
C23H41O5P

M.W.:
428.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.15

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3401163

Name:
cis-cyclipostin P

Mol. Formula:
C23H41O6P

M.W.:
444.55

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3401162

Name:
trans-cyclipostin P

Mol. Formula:
C23H41O6P

M.W.:
444.55

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS