Compounds

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
122.91

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4474081

Name:
2-(2-(2-methoxyethylamino)pyrimidin-5-yl)-5-phenyl
Show More⌵

Mol. Formula:
C27H25N7O

M.W.:
463.55

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
97.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4539841

Name:
1-(3,4-Dimethoxyphenyl)-1-(3-fluorobenzyl)-3-(3-(5
Show More⌵

Mol. Formula:
C23H27FN4O2S

M.W.:
442.56

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
51.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4537540

Name:
3-(3-Methylbenzofuran-2-yl)-3-oxopropanenitrile

Mol. Formula:
C12H9NO2

M.W.:
199.21

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
54.00

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA4522820

Name:
N-((3S,4S)-4-(4-Chlorophenyl)piperidin-3-yl)-5-(1-
Show More⌵

Mol. Formula:
C20H21ClN4O2

M.W.:
384.87

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4522719

Name:
N-((3S,4S)-4-(3-Fluorophenyl)piperidin-3-yl)-5-(1-
Show More⌵

Mol. Formula:
C21H22FN5O

M.W.:
379.44

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
71.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4521294

Name:
5-phenyl-N-(pyridin-2-ylmethyl)-2-(pyridin-4-yl)qu
Show More⌵

Mol. Formula:
C25H19N5

M.W.:
389.46

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
63.59

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4521058

Name:
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl
Show More⌵

Mol. Formula:
C21H15F3N4

M.W.:
380.37

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
50.70

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4520303

Name:
1-(3,4-Dimethoxyphenyl)-1-isobutyl-3-(3-(5-methyl-
Show More⌵

Mol. Formula:
C20H30N4O2S

M.W.:
390.55

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
51.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4532101

Name:
5-phenyl-N-(pyridin-2-ylmethyl)-2-(thiazol-5-yl)qu
Show More⌵

Mol. Formula:
C23H17N5S

M.W.:
395.49

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
63.59

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4531258

Name:
2-(furan-2-yl)-3-hydroxy-6-methoxy-4H-chromen-4-on
Show More⌵

Mol. Formula:
C14H10O5

M.W.:
258.23

10 activity values

10 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4560290

Name:
5-Bromo-4-(4-bromo-1-methyl-1H-pyrazol-5-yl)-N-((3
Show More⌵

Mol. Formula:
C21H22Br2ClN5O

M.W.:
555.70

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
63.88

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4530506

Name:
N-((3S,4S)-4-(4-Chlorophenyl)piperidin-3-yl)-4-(1-
Show More⌵

Mol. Formula:
C20H21ClN4OS

M.W.:
400.94

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
58.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4529738

Name:
4-(4-Chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S)-4
Show More⌵

Mol. Formula:
C20H19ClF2N4O2

M.W.:
420.85

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4529098

Name:
3-methyl-7-(pyridin-4-yl)-N-(quinolin-2-yl)-1-benz
Show More⌵

Mol. Formula:
C24H17N3OS

M.W.:
395.49

Type:
Unknown

AlogP:
6.07

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4528834

Name:
N-((3S,4S)-4-(3,4-Difluorophenyl)piperidin-3-yl)-6
Show More⌵

Mol. Formula:
C21H21F2N5O

M.W.:
397.43

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
71.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4528713

Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(5-
Show More⌵

Mol. Formula:
C29H38N4O4

M.W.:
506.65

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
97.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4525926

Name:
1-(3,4-Dimethoxyphenyl)-1-(4-fluorobenzyl)-3-(3-(5
Show More⌵

Mol. Formula:
C23H27FN4O2S

M.W.:
442.56

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
51.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4518386

Name:
N-((3S,4S)-4-(4-Chlorophenyl)piperidin-3-yl)-4-(1-
Show More⌵

Mol. Formula:
C20H21ClN4O2

M.W.:
384.87

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4516622

Name:
4'-((1R,3r)-3-((R)-2-methylpyrrolidin-1-yl)cyclobu
Show More⌵

Mol. Formula:
C22H24N2

M.W.:
316.45