Compounds

ALA5278448

Name:
4-(3-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)-N-(2-oxo-1,2,3,4-tetrahydroquShow More⌵

Mol. Formula:
C22H19FN4O3S

M.W.:
438.48

Type:
---

AlogP:
3.27

Polar Surface Area:
94.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5274968

Name:
4-(3-fluorophenyl)-N-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazole-5-carbShow More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

Type:
---

AlogP:
4.09

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5291299

Name:
4-(2-fluorophenyl)-N-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazole-5-carbShow More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

Type:
---

AlogP:
4.09

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5286018

Name:
4-(3-fluorophenyl)-N-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperazin-1Show More⌵

Mol. Formula:
C23H22FN5O2S

M.W.:
451.53

Type:
---

AlogP:
3.50

Polar Surface Area:
86.36

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5285815

Name:
4-(3-fluorophenyl)-2-morpholino-N-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thShow More⌵

Mol. Formula:
C23H21FN4O3S

M.W.:
452.51

Type:
---

AlogP:
3.92

Polar Surface Area:
83.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5269320

Name:
(R)-6-(2-(2-(3-fluorophenyl)pyrrolidin-1-yl)ethoxy)-3,4-dihydroquinolin-2(1Show More⌵

Mol. Formula:
C21H23FN2O2

M.W.:
354.43

Type:
---

AlogP:
3.93

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5271934

Name:
2-(dimethylamino)-4-(3-fluorophenyl)-N-(2-oxo-1,2,3,4-tetrahydroquinolin-6-Show More⌵

Mol. Formula:
C21H19FN4O2S

M.W.:
410.47

Type:
---

AlogP:
4.15

Polar Surface Area:
74.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5283146

Name:
6-(2-(2-(3-fluorophenyl)pyrrolidin-1-yl)ethoxy)-3,4-dihydroquinolin-2(1H)-oShow More⌵

Mol. Formula:
C21H23FN2O2

M.W.:
354.43

Type:
---

AlogP:
3.93

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

3-Chloro-4-morpholinobenzaldehyde

Name:
3-chloro-4-morpholinobenzaldehyde

Mol. Formula:
C11H12ClNO2

M.W.:
225.67

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5087589

Name:
3-chloro-4-(dipropylamino)benzaldehyde

Mol. Formula:
C13H18ClNO

M.W.:
239.75

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALDH1A3-IN-2

Name:
3-methyl-4-(piperidin-1-yl)benzaldehyde

Mol. Formula:
C13H17NO

M.W.:
203.28

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5084907

Name:
3-methyl-4-morpholinobenzaldehyde

Mol. Formula:
C12H15NO2

M.W.:
205.26

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5082977

Name:
4-(dipropylamino)-3-nitrobenzaldehyde

Mol. Formula:
C13H18N2O3

M.W.:
250.30

23 activity values

7 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
63.45

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

4-Isopropoxybenzaldehyde

Name:
4-isopropoxybenzaldehyde

Mol. Formula:
C10H12O2

M.W.:
164.20

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA5073624

Name:
3-methyl-4-(4-methylpiperazin-1-yl)benzaldehyde

Mol. Formula:
C13H18N2O

M.W.:
218.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA4526691

Name:
6-(4-(Methylthio)phenyl)-2-phenylimidazo[1,2-a]pyridine

Mol. Formula:
C20H16N2S

M.W.:
316.43

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
17.30

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4519005

Name:
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine

Mol. Formula:
C19H13ClN2

M.W.:
304.78

8 activity values

4 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
17.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4456676

Name:
2,6-Diphenylimidazo[1,2-a]pyridine

Mol. Formula:
C19H14N2

M.W.:
270.33

11 activity values

4 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
17.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4441577

Name:
6-(3,5-Dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

Mol. Formula:
C22H20N2O3

M.W.:
360.41

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
44.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4440588

Name:
6-(4-Fluorophenyl)-2-phenylimidazo[1,2-a]pyridine

Mol. Formula:
C19H13FN2

M.W.:
288.32

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
17.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS