Compounds

ALA5280119

Name:
6-(6-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (4-Fluoro-3-triShow More⌵

Mol. Formula:
C22H14F4N4O2

M.W.:
442.37

Type:
---

AlogP:
5.41

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5276611

Name:
6-(2-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (4-Fluoro-3-triShow More⌵

Mol. Formula:
C22H14F4N4O2

M.W.:
442.37

Type:
---

AlogP:
5.41

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5288744

Name:
6-(6-Amino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic Acid (3-TrifluorometShow More⌵

Mol. Formula:
C22H15F3N4O2

M.W.:
424.38

Type:
---

AlogP:
5.28

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4879073

Name:
N-(2,6-Diisopropylphenyl)-4-(6-(4-(4-methylpiperazin-1-yl)phenyl)thieno[2,3Show More⌵

Mol. Formula:
C34H43N7OS

M.W.:
597.83

3 activity values

3 unique targets

Type:
Unknown

AlogP:
6.71

Polar Surface Area:
67.84

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4878964

Name:
6-(5-Bromo-2-fluoropyridin-3-yl)-4-(4-(vinylsulfonyl)-piperazin-1-yl)thienoShow More⌵

Mol. Formula:
C17H15BrFN5O2S2

M.W.:
484.38

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
79.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4878907

Name:
N-(2-Methoxyphenyl)-4-(6-(4-(4-methylpiperazin-1-yl)-phenyl)thieno[2,3-d]pyShow More⌵

Mol. Formula:
C29H33N7O2S

M.W.:
543.70

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
77.07

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4878266

Name:
6-(Quinolin-5-yl)-4-(4-(vinylsulfonyl)piperazin-1-yl)-thieno[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C21H19N5O2S2

M.W.:
437.55

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
79.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4875890

Name:
6-Phenyl-4-(4-(vinylsulfonyl)piperazin-1-yl)quinoline

Mol. Formula:
C21H21N3O2S

M.W.:
379.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
53.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4875689

Name:
4-(6-(4-(4-Methylpiperazin-1-yl)phenyl)thieno[2,3-d]-pyrimidin-4-yl)-N-(4-(Show More⌵

Mol. Formula:
C29H30F3N7O2S

M.W.:
597.67

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
77.07

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4875668

Name:
(4-Methylpiperazin-1-yl)(4-(4-(4-(vinylsulfonyl)piperazin-1-yl)thieno[2,3-dShow More⌵

Mol. Formula:
C24H28N6O3S2

M.W.:
512.66

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
89.95

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4874965

Name:
4-((S)-2-Methyl-4-(vinylsulfonyl)piperazin-1-yl)-6-(4-(4-methylpiperazin-1-Show More⌵

Mol. Formula:
C30H41N7O3S2

M.W.:
611.84

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
85.35

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4874787

Name:
6-(4-(Trifluoromethyl)phenyl)-4-(4-(vinylsulfonyl)piperazin-1-yl)thieno[2,3Show More⌵

Mol. Formula:
C19H17F3N4O2S2

M.W.:
454.50

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
66.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4874409

Name:
4-(4-(Ethylsulfonyl)piperazin-1-yl)-6-(4-(4-methylpiperazin-1-yl)phenyl)thiShow More⌵

Mol. Formula:
C23H30N6O2S2

M.W.:
486.67

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
72.88

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4873681

Name:
N-(3-Fluorophenyl)-4-(6-(4-(4-methylpiperazin-1-yl)-phenyl)thieno[2,3-d]pyrShow More⌵

Mol. Formula:
C28H30FN7OS

M.W.:
531.66

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
67.84

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4873339

Name:
4-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-6-(4-(4-methylpiperazin-1-yl)phenShow More⌵

Mol. Formula:
C24H30N6O2S2

M.W.:
498.68

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
72.88

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4872724

Name:
(E)-6-(4-(4-Methylpiperazin-1-yl)phenyl)-4-(4-(styrylsulfonyl)piperazin-1-yShow More⌵

Mol. Formula:
C29H32N6O2S2

M.W.:
560.75

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
72.88

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4872344

Name:
(R)-(4-Methylpiperazin-1-yl)(4-(2-((1-methylpyrrolidin-2-yl)methoxy)-4-(4-(Show More⌵

Mol. Formula:
C30H39N7O4S2

M.W.:
625.82

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
102.42

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4871658

Name:
N-(4-Chlorophenyl)-4-(6-(4-(4-methylpiperazin-1-yl)-phenyl)thieno[2,3-d]pyrShow More⌵

Mol. Formula:
C28H30ClN7OS

M.W.:
548.12

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
67.84

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4870910

Name:
(R)-6-(6-Methoxypyridin-3-yl)-2-((1-methylpyrrolidin-2-yl)methoxy)-4-(4-(viShow More⌵

Mol. Formula:
C24H30N6O4S2

M.W.:
530.68

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
100.99

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4869290

Name:
6-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-4-(4-(vinylsulfonyl)piperaShow More⌵

Mol. Formula:
C17H17F3N6O2S2

M.W.:
458.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
84.22

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS