Compounds

ALA5275217

Name:
4-((4-(quinolin-8-yloxy)-6-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)-1,3,5Show More⌵

Mol. Formula:
C33H32N8O4

M.W.:
604.67

Type:
---

AlogP:
5.18

Polar Surface Area:
130.78

HBA:
12

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2234874

Name:
6-(2-Chlorophenyl)-3-[1-(4-isobutylphenyl)ethyl]-[1,2,4]-triazolo[3,4-b]-[1Show More⌵

Mol. Formula:
C19H20N4OS

M.W.:
352.46

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
56.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2234871

Name:
6-(2-Furyl)-3-[1-(4-isobutylphenyl)ethyl]-[1,2,4]-triazolo[3,4-b]-[1,3,4]-tShow More⌵

Mol. Formula:
C21H21BrN4S

M.W.:
441.40

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2234870

Name:
3-[1-(4-Isobutylphenyl)ethyl]-6-propyl-[1,2,4]-triazolo[3,4-b]-[1,3,4]-thiaShow More⌵

Mol. Formula:
C18H24N4S

M.W.:
328.49

26 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
43.08

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1187515

Name:
(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-4-[2-[(1E,3EShow More⌵

Mol. Formula:
C28H28F5N3O3

M.W.:
549.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
69.40

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1077124

Name:
4-(4-bromobenzylideneamino)-1-((diphenylamino)methyl)-3-(1-(4-isobutylphenyShow More⌵

Mol. Formula:
C34H34BrN5S

M.W.:
624.65

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
9.20

Polar Surface Area:
38.35

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1087692

Name:
3-(1-(4-isobutylphenyl)ethyl)-4-(4-methylbenzylideneamino)-1-(morpholinometShow More⌵

Mol. Formula:
C27H35N5OS

M.W.:
477.68

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
47.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1087691

Name:
4-(4-chlorobenzylideneamino)-3-(1-(4-isobutylphenyl)ethyl)-1-(morpholinometShow More⌵

Mol. Formula:
C26H32ClN5OS

M.W.:
498.10

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
47.58

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1088623

Name:
4-(4-bromobenzylideneamino)-5-(1-(4-isobutylphenyl)ethyl)-4H-1,2,4-triazoleShow More⌵

Mol. Formula:
C21H23BrN4S

M.W.:
443.41

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
43.07

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1088622

Name:
4-(4-chlorobenzylideneamino)-5-(1-(4-isobutylphenyl)ethyl)-4H-1,2,4-triazolShow More⌵

Mol. Formula:
C21H23ClN4S

M.W.:
398.96

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
43.07

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS