Compounds

ALA4216760

Name:
(1-((1,3-Diphenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazol-4-yl)methanol

Mol. Formula:
C19H17N5O

M.W.:
331.38

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4208417

Name:
(1-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methyl)-1H-1,2,3-triazol-4Show More⌵

Mol. Formula:
C19H16ClN5O

M.W.:
365.82

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
68.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4206841

Name:
(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol

Mol. Formula:
C16H13ClN2O

M.W.:
284.75

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2298871

Name:
1-(3-Chloro-2-(4-(dimethylamino)phenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10HShow More⌵

Mol. Formula:
C26H24ClN5O3S

M.W.:
522.03

29 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
84.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2298870

Name:
1-(3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothShow More⌵

Mol. Formula:
C25H21ClN4O4S

M.W.:
508.99

24 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
90.98

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2298869

Name:
1-(3-Chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothiaShow More⌵

Mol. Formula:
C24H18ClN5O5S

M.W.:
523.96

32 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
124.89

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2298868

Name:
1-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(1Show More⌵

Mol. Formula:
C25H21ClN4O5S

M.W.:
524.99

24 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
111.21

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2298867

Name:
1-(3-Chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothiShow More⌵

Mol. Formula:
C24H18Cl2N4O3S

M.W.:
513.41

26 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2298866

Name:
1-(3-Chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothiShow More⌵

Mol. Formula:
C24H18Cl2N4O3S

M.W.:
513.41

32 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2298865

Name:
1-(3-Chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothShow More⌵

Mol. Formula:
C24H19ClN4O4S

M.W.:
494.96

30 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
101.98

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2298864

Name:
1-(3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothiShow More⌵

Mol. Formula:
C24H18Cl2N4O3S

M.W.:
513.41

27 activity values

13 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2298863

Name:
1-(3-Chloro-2-(3-fluorophenyl)-4-oxoazetidin-1-yl)-3-(2-oxo-2-(10H-phenothiShow More⌵

Mol. Formula:
C24H18ClFN4O3S

M.W.:
496.95

26 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
81.75

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS