Compounds

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4589925

Name:
N-[(5-{(6-phenyl-1,3-benzothiazol-2-yl)[(3,3,3-trifluoropropyl)sulfonyl]metShow More⌵

Mol. Formula:
C20H18F3N5O5S3

M.W.:
561.59

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
158.14

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4589512

Name:
cis-5-hydroxy-1-(2-hydroxyethyl)-2,6-dioxo-N-(4-phenylcyclohexyl)-1,2,3,6-tShow More⌵

Mol. Formula:
C19H23N3O5

M.W.:
373.41

2 activity values

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
124.42

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4587475

Name:
rac-2-cyano-N-(2-(cyclopropylamino)-2-oxoethyl)-2-(6-phenylbenzo[d]thiazol-Show More⌵

Mol. Formula:
C21H18N4O2S

M.W.:
390.47

30 activity values

11 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
94.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4586520

Name:
5-amino-2,6-dioxo-N-((1R,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,Show More⌵

Mol. Formula:
C21H20N4O3

M.W.:
376.42

8 activity values

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
120.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4584322

Name:
cis-5-amino-2,6-dioxo-3-phenyl-N-(4-phenylcyclohexyl)-1,2,3,6-tetrahydropyrShow More⌵

Mol. Formula:
C23H24N4O3

M.W.:
404.47

2 activity values

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
109.98

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4583457

Name:
(R)-5-amino-N-(5-(benzyloxy)-1,2,3,4-tetrahydronaphthalen-1-yl)-2,6-dioxo-1Show More⌵

Mol. Formula:
C22H22N4O4

M.W.:
406.44

11 activity values

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
130.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4581886

Name:
N-({5-[6-Fluoro-5-(1-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazole-2-Show More⌵

Mol. Formula:
C19H13FN6O5S2

M.W.:
488.48

12 activity values

6 unique targets

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
170.17

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4581408

Name:
rac-2-cyano-N-(2-(cyclopropylamino)-2-oxoethyl)-2-(6-(3-(piperidine-1-carboShow More⌵

Mol. Formula:
C27H27N5O3S

M.W.:
501.61

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
115.19

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4577903

Name:
2-chloro-N,N-dimethyl-4-{2-[phenylmethanesulfonyl({5-[(sulfamoylamino)methyShow More⌵

Mol. Formula:
C27H25ClN6O6S3

M.W.:
661.19

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
178.45

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4575712

Name:
N-({5-[6-(3-Oxo-2,3-Dihydro-1H-isoindol-5-yl)-1,3-benzothiazole-2-carbonyl]Show More⌵

Mol. Formula:
C19H14N6O5S2

M.W.:
470.49

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
170.17

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4573343

Name:
5-amino-2,6-dioxo-N-((1S,3R)-3-phenylcyclopentyl)-1,2,3,6-tetrahydropyrimidShow More⌵

Mol. Formula:
C16H18N4O3

M.W.:
314.35

2 activity values

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
120.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4567596

Name:
N-[(5-{[6-(3-chlorophenyl)-1,3-benzothiazol-2-yl](phenylmethanesulfonyl)metShow More⌵

Mol. Formula:
C24H20ClN5O5S3

M.W.:
590.11

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
158.14

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4563019

Name:
N-[(5-{5-Fluoro-6-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazShow More⌵

Mol. Formula:
C22H18F2N6O6S2

M.W.:
564.55

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
170.61

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4562731

Name:
rac-2-cyano-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2-(6-phenylbenzo[d]thiazol-2Show More⌵

Mol. Formula:
C22H20N4O2S

M.W.:
404.50

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
86.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4558644

Name:
cis-5-amino-N-(4-(4-(benzyloxy)phenyl)cyclohexyl)-2,6-dioxo-1,2,3,6-tetrahyShow More⌵

Mol. Formula:
C24H26N4O4

M.W.:
434.50

5 activity values

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
130.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4557646

Name:
rac-2-(6-(4-(azetidine-1-carbonyl)phenyl)benzo[d]thiazol-2-yl)-2-cyano-N-(2Show More⌵

Mol. Formula:
C25H23N5O3S

M.W.:
473.56

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
115.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4557424

Name:
rac-3-(2-(1-cyano-2-(2-(cyclopropylamino)-2-oxoethylamino)-2-oxoethyl)benzoShow More⌵

Mol. Formula:
C24H23N5O3S

M.W.:
461.55

14 activity values

9 unique targets

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
115.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4555254

Name:
cis-5-hydroxy-1-isobutyl-2,6-dioxo-N-(4-phenylcyclohexyl)-1,2,3,6-tetrahydrShow More⌵

Mol. Formula:
C21H27N3O4

M.W.:
385.46

5 activity values

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
104.19

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4553622

Name:
rac-2-cyano-N-(2-(cyclopropylamino)-2-oxoethyl)-2-(6-(3-oxoisoindolin-5-yl)Show More⌵

Mol. Formula:
C23H19N5O3S

M.W.:
445.50