Compounds

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
104.31

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4649373

Name:
(R)-2-chloro-4-ethoxy-5-(2-methylmorpholino)-N-(6-((4-methylpiperazin-1-yl)Show More⌵

Mol. Formula:
C28H35ClN6O4S

M.W.:
587.15

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
99.27

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4649089

Name:
3-(benzo[d]thiazol-2-yl)-6-(2-chloro-4-ethoxy-5-morpholinophenyl)pyridin-2(Show More⌵

Mol. Formula:
C24H22ClN3O3S

M.W.:
467.98

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
67.45

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4647314

Name:
4-ethoxy-2-methyl-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C28H36N6O4S

M.W.:
552.70

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
99.27

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4646399

Name:
2-chloro-4-methyl-N-(6-(1-methylpiperidin-4-ylsulfonyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C25H25ClN6O4S2

M.W.:
573.10

3 activity values

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
126.29

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4646005

Name:
2-chloro-4-ethoxy-N-(6-(1-methylpiperidin-4-yloxy)benzo[d]thiazol-2-yl)-5-mShow More⌵

Mol. Formula:
C26H31ClN4O4S

M.W.:
531.08

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
76.16

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4645314

Name:
2-(2-chloro-4-ethoxy-5-morpholinophenyl)-5-(6-(1-methylpiperidin-4-ylsulfonShow More⌵

Mol. Formula:
C29H32ClN5O5S2

M.W.:
630.19

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
117.72

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4644587

Name:
5-(benzo[d]thiazol-2-yl)-2-(2-chloro-4-ethoxy-5-morpholinophenyl)pyrimidin-Show More⌵

Mol. Formula:
C23H21ClN4O3S

M.W.:
468.97

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
80.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4643496

Name:
2-chloro-4-ethoxy-N-(5-(2-hydroxyacetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pShow More⌵

Mol. Formula:
C22H26ClN5O6S

M.W.:
524.00

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
133.33

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4642413

Name:
2-chloro-4-ethoxy-N-methyl-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiShow More⌵

Mol. Formula:
C28H35ClN6O4S

M.W.:
587.15

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
90.48

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4642179

Name:
2-chloro-4-ethoxy-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C26H32ClN5O3S

M.W.:
530.09

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
70.17

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4642043

Name:
6-(2-chloro-4-ethoxy-5-morpholinophenyl)-3-(6-(1-methylpiperidin-4-ylsulfonShow More⌵

Mol. Formula:
C30H33ClN4O5S2

M.W.:
629.20

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
104.83

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4641579

Name:
2-chloro-4-ethoxy-N-(6-(1-methylpiperidin-4-ylsulfonyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C26H27ClN6O5S2

M.W.:
603.13

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
135.52

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4641503

Name:
2-chloro-5-((2S,6S)-2,6-dimethylmorpholino)-4-ethoxy-N-(6-(3-(4-methylpiperShow More⌵

Mol. Formula:
C30H40ClN5O5S2

M.W.:
650.27

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
104.31

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4641449

Name:
N-(benzo[d]thiazol-2-yl)-2-chloro-4-ethoxy-5-morpholinobenzamide

Mol. Formula:
C20H20ClN3O3S

M.W.:
417.92

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
63.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4641428

Name:
N-(benzo[b]thiophen-2-ylcarbamoyl)-2-chloro-4-ethoxy-5-morpholinobenzamide

Mol. Formula:
C22H22ClN3O4S

M.W.:
459.96

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
79.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4641372

Name:
4-ethoxy-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiazol-2-ylcarbamoylShow More⌵

Mol. Formula:
C27H34N6O4S

M.W.:
538.67

3 activity values

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
99.27

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4641219

Name:
2-chloro-4-ethoxy-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C26H28ClN7O3S

M.W.:
554.08

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
104.62

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4641120

Name:
1-(2-chloro-4-ethoxy-5-morpholinophenyl)-3-(6-((4-methylpiperazin-1-yl)methShow More⌵

Mol. Formula:
C26H33ClN6O3S

M.W.:
545.11

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
82.20

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4640189

Name:
2-chloro-4-ethoxy-N-(6-((4-methylpiperazin-1-yl)methyl)benzo[d]thiazol-2-ylShow More⌵

Mol. Formula:
C27H29ClN6O3S

M.W.:
553.09