Compounds

Type:
Unknown

AlogP:
6.55

Polar Surface Area:
103.29

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5094775

Name:
2-((2-Methylbenzyl)thio)-4-(thiazol-2-ylthio)-6-(3,4,5-trimethoxyphenyl)pyrShow More⌵

Mol. Formula:
C25H22N4O3S3

M.W.:
522.68

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
90.15

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5093556

Name:
2-((4-(tert-Butyl)benzyl)thio)-4-((1-methyl-1H-tetrazol-5-yl)thio)-6-(3,4,5Show More⌵

Mol. Formula:
C27H29N7O3S2

M.W.:
563.71

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
120.86

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5093455

Name:
4-(4-Bromophenyl)-2-((4-methylbenzyl)thio)-6-(thiazol-2-ylthio)pyrimidine-5Show More⌵

Mol. Formula:
C22H15BrN4S3

M.W.:
511.50

Type:
Unknown

AlogP:
6.99

Polar Surface Area:
62.46

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5092564

Name:
4-((1-Methyl-1H-tetrazol-5-yl)thio)-2-((naphthalen-2-ylmethyl)thio)-6-(3,4,Show More⌵

Mol. Formula:
C27H23N7O3S2

M.W.:
557.66

2 activity values

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
120.86

HBA:
12

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5092473

Name:
2-(Benzylthio)-4-((2-methyl-2-morpholinopropyl)amino)-6-(3,4,5-trimethoxyphShow More⌵

Mol. Formula:
C28H33N5O4S

M.W.:
535.67

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
101.76

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5092062

Name:
4-(Thiazol-2-ylthio)-2-((3-(trifluoromethyl)benzyl)thio)-6-(3,4,5-trimethoxShow More⌵

Mol. Formula:
C25H19F3N4O3S3

M.W.:
576.65

Type:
Unknown

AlogP:
6.96

Polar Surface Area:
90.15

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5091907

Name:
2-((4-Chlorobenzyl)thio)-4-((1-methyl-1H-tetrazol-5-yl)thio)-6-(3,4,5-trimeShow More⌵

Mol. Formula:
C22H21ClN6O3S2

M.W.:
517.04

5 activity values

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
97.07

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5091659

Name:
2-((3-Methylbenzyl)thio)-4-(thiazol-2-ylthio)-6-(3,4,5-trimethoxyphenyl)pyrShow More⌵

Mol. Formula:
C25H22N4O3S3

M.W.:
522.68

2 activity values

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
90.15

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5091608

Name:
4-((1-(2-(Dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)-2-((3-methylbenzyl)thShow More⌵

Mol. Formula:
C27H30N8O3S2

M.W.:
578.72

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
124.10

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5091490

Name:
2-((4-Methylbenzyl)thio)-4-(thiazol-2-ylthio)-6-(thiophen-2-yl)pyrimidine-5Show More⌵

Mol. Formula:
C20H14N4S4

M.W.:
438.63

Type:
Unknown

AlogP:
6.29

Polar Surface Area:
62.46

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5091159

Name:
2-((Naphthalen-2-ylmethyl)thio)-4-(thiazol-2-ylthio)-6-(3,4,5-trimethoxypheShow More⌵

Mol. Formula:
C28H22N4O3S3

M.W.:
558.71

2 activity values

Type:
Unknown

AlogP:
7.09

Polar Surface Area:
90.15

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5089944

Name:
2-((4-Methylbenzyl)thio)-4-(thiazol-2-ylthio)-6-(p-tolyl)pyrimidine-5-carboShow More⌵

Mol. Formula:
C23H18N4S3

M.W.:
446.63

Type:
Unknown

AlogP:
6.53

Polar Surface Area:
62.46

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5089618

Name:
4-((1-(2-(Dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)-2-((3-(trifluoromethyShow More⌵

Mol. Formula:
C27H27F3N8O3S2

M.W.:
632.69

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
124.10

HBA:
13

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5089594

Name:
2-(Propylthio)-4-(thiazol-2-ylthio)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-Show More⌵

Mol. Formula:
C20H20N4O3S3

M.W.:
460.61

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
90.15

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5089436

Name:
(Benzylthio)-4-((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)-6-(3,4,5Show More⌵

Mol. Formula:
C26H28N8O3S2

M.W.:
564.70

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
124.10

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5089354

Name:
2-((Pyridin-4-ylmethyl)thio)-4-(thiazol-2-ylthio)-6-(3,4,5-trimethoxyphenylShow More⌵

Mol. Formula:
C23H19N5O3S3

M.W.:
509.64

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
103.04

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5089246

Name:
4-(4-Methoxyphenyl)-2-((4-methylbenzyl)thio)-6-(thiazol-2-ylthio)pyrimidineShow More⌵

Mol. Formula:
C23H18N4OS3

M.W.:
462.63

Type:
Unknown

AlogP:
6.23

Polar Surface Area:
71.69

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5089086

Name:
2-((4-Chlorobenzyl)thio)-4-((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thShow More⌵

Mol. Formula:
C26H27ClN8O3S2

M.W.:
599.14

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
124.10

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5088619

Name:
2-(Benzylthio)-4-((3-chloro-4-hydroxyphenyl)amino)-6-(3,4,5-trimethoxyphenyShow More⌵

Mol. Formula:
C27H23ClN4O4S

M.W.:
535.03