Compounds

ALA4176645

Name:
NA

Mol. Formula:
C21H28N6O2S2

M.W.:
460.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
90.46

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4175795

Name:
2,2-Dimethyl-4-[1-(10H-9-thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidinShow More⌵

Mol. Formula:
C22H28N4O2S

M.W.:
412.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4175184

Name:
4-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperazine-1-sulfonic aciShow More⌵

Mol. Formula:
C17H22N6O2S2

M.W.:
406.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
81.67

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4174777

Name:
4-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperazine-1-sulfonic aciShow More⌵

Mol. Formula:
C15H18N6O2S2

M.W.:
378.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
104.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4174739

Name:
N-[1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yl]-benzenShow More⌵

Mol. Formula:
C22H23N5O2S2

M.W.:
453.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4174342

Name:
2-Methyl-4-[1-(10H-9-thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yShow More⌵

Mol. Formula:
C21H26N4O2S

M.W.:
398.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4171320

Name:
1-[4-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperazin-1-yl]-ethanoShow More⌵

Mol. Formula:
C17H19N5OS

M.W.:
341.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4171283

Name:
4-[1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yl]-benzoiShow More⌵

Mol. Formula:
C23H22N4O2S

M.W.:
418.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4170909

Name:
N-[1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yl]-acetamShow More⌵

Mol. Formula:
C18H21N5OS

M.W.:
355.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
70.15

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4170903

Name:
[1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yl]-acetic aShow More⌵

Mol. Formula:
C18H20N4O2S

M.W.:
356.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4170693

Name:
6-Azepan-1-ylmethyl-10H-9-thia-1,4,10-triaza-anthracene

Mol. Formula:
C17H20N4S

M.W.:
312.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4170462

Name:
1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidine-4-carboxylic aShow More⌵

Mol. Formula:
C17H19N5OS

M.W.:
341.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
84.14

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4168474

Name:
6-Azetidin-1-ylmethyl-10H-9-thia-1,4,10-triaza-anthracene

Mol. Formula:
C14H14N4S

M.W.:
270.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4167985

Name:
[7-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-7-aza-spiro[3.5]non-2-ylShow More⌵

Mol. Formula:
C21H24N4O2S

M.W.:
396.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4167939

Name:
(E)-2-Methyl-4-[1-(10H-9-thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidinShow More⌵

Mol. Formula:
C21H24N4O2S

M.W.:
396.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4167533

Name:
NA

Mol. Formula:
C16H20N6O2S2

M.W.:
392.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
113.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4166467

Name:
Anti-[3-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-3-aza-bicyclo[3.3.1Show More⌵

Mol. Formula:
C21H24N4O2S

M.W.:
396.52

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4166428

Name:
3-[1-(10H-9-Thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperidin-4-yl]-propioShow More⌵

Mol. Formula:
C19H22N4O2S

M.W.:
370.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
78.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4165398

Name:
6-Piperidin-1-ylmethyl-10H-9-thia-1,4,10-triaza-anthracene

Mol. Formula:
C16H18N4S

M.W.:
298.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4164084

Name:
1,1,1-Trifluoro-N-[1-(10H-9-thia-1,4,10-triaza-anthracen-6-ylmethyl)-piperiShow More⌵

Mol. Formula:
C17H18F3N5O2S2

M.W.:
445.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
87.22

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS