Compounds

ALA5219959

Name:
[(3E)-8-chloro-3-ethylimino-4-methyl-1,2-dihydrocyclopenta[b]indol-7-yl]N-mShow More⌵

Mol. Formula:
C16H18ClN3O2

M.W.:
319.79

Type:
---

AlogP:
3.31

Polar Surface Area:
55.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5219903

Name:
[4-[(E)-2-[3,5-bis[(4-methylpiperazine-1-carbonyl)oxy]phenyl]vinyl]phenyl]4Show More⌵

Mol. Formula:
C32H42N6O6

M.W.:
606.72

1 activity values

1 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
98.34

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5219617

Name:
[4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenyl]4-methylpiperazine-1-carboxylatShow More⌵

Mol. Formula:
C22H26N2O4

M.W.:
382.46

1 activity values

1 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5220947

Name:
[4-[(E)-2-[3,5-bis[(4-benzylpiperazine-1-carbonyl)oxy]phenyl]vinyl]phenyl]4Show More⌵

Mol. Formula:
C50H54N6O6

M.W.:
835.02

2 activity values

2 unique targets

Type:
---

AlogP:
7.81

Polar Surface Area:
98.34

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5220738

Name:
[4-[7-(4-methylpiperazine-1-carbonyl)oxy-4-oxo-chromen-3-yl]phenyl]4-methylShow More⌵

Mol. Formula:
C27H30N4O6

M.W.:
506.56

1 activity values

1 unique targets

Type:
---

AlogP:
2.95

Polar Surface Area:
95.77

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5220044

Name:
[4-(5,6,7-trihydroxy-4-oxo-chromen-2-yl)phenyl]N-ethylcarbamate

Mol. Formula:
C18H15NO7

M.W.:
357.32

3 activity values

3 unique targets

Type:
---

AlogP:
2.69

Polar Surface Area:
129.23

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5218458

Name:
[(3E)-8-bromo-3-ethylimino-4-methyl-1,2-dihydrocyclopenta[b]indol-7-yl]N-meShow More⌵

Mol. Formula:
C16H18BrN3O2

M.W.:
364.24

Type:
---

AlogP:
3.41

Polar Surface Area:
55.62

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4877719

Name:
2-((1-(2,4-difluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3Show More⌵

Mol. Formula:
C24H26F3NO3

M.W.:
433.47

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4877366

Name:
5-fluoro-2-((4-fluoro-1-(3-fluorobenzyl)piperidin-4-yl)methyl)-6-methoxy-2,Show More⌵

Mol. Formula:
C23H24F3NO2

M.W.:
403.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4877089

Name:
2-((1-(3,5-difluorobenzyl)-4-fluoropiperidin-4-yl)methyl)-5,6-dimethoxy-2,3Show More⌵

Mol. Formula:
C24H26F3NO3

M.W.:
433.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4876130

Name:
5,6-dibutoxy-2-((4-fluoro-1-(2-fluorobenzyl)piperidin-4-yl)methyl)-2,3-dihyShow More⌵

Mol. Formula:
C30H39F2NO3

M.W.:
499.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4873794

Name:
5-fluoro-2-((4-fluoro-1-(2-fluorobenzyl)piperidin-4-yl)methyl)-6-methoxy-2,Show More⌵

Mol. Formula:
C23H24F3NO2

M.W.:
403.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4871843

Name:
2-((4-fluoro-1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)methyl)-5,6-dimethShow More⌵

Mol. Formula:
C25H27F4NO3

M.W.:
465.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4871360

Name:
5-fluoro-2-((4-fluoro-1-(4-fluorobenzyl)piperidin-4-yl)methyl)-6-methoxy-2,Show More⌵

Mol. Formula:
C23H24F3NO2

M.W.:
403.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4869273

Name:
2-((4-fluoro-1-(3-fluorobenzyl)piperidin-4-yl)methyl)-5,6-dipropoxy-2,3-dihShow More⌵

Mol. Formula:
C28H35F2NO3

M.W.:
471.59

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.15

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4869023

Name:
2-((4-fluoro-1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)methyl)-5,6-dimethShow More⌵

Mol. Formula:
C25H27F4NO3

M.W.:
465.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4868720

Name:
3-((4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)-4-fluoropiperShow More⌵

Mol. Formula:
C25H27FN2O3

M.W.:
422.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
62.56

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4867751

Name:
6-fluoro-2-((4-fluoro-1-(4-fluorobenzyl)piperidin-4-yl)methyl)-5-methoxy-2,Show More⌵

Mol. Formula:
C23H24F3NO2

M.W.:
403.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4867651

Name:
2-((4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)-4-fluoropiperShow More⌵

Mol. Formula:
C25H27FN2O3

M.W.:
422.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
62.56

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4867225

Name:
6-(cyclopropylmethoxy)-2-((1-(2,4-difluorobenzyl)-4-fluoropiperidin-4-yl)meShow More⌵

Mol. Formula:
C27H30F3NO3

M.W.:
473.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS