Compounds

Type:
Small molecule

AlogP:
0.11

Polar Surface Area:
162.47

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3822684

Name:
4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yShow More⌵

Mol. Formula:
C13H18N6O5

M.W.:
338.32

Type:
Small molecule

AlogP:
-2.23

Polar Surface Area:
181.77

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3823700

Name:
4-amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yShow More⌵

Mol. Formula:
C13H16N6O4

M.W.:
320.31

Type:
Small molecule

AlogP:
-1.46

Polar Surface Area:
162.47

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3822603

Name:
(2R,3R,4S,5R)-2-(6-Amino-8-((4-fluorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxShow More⌵

Mol. Formula:
C17H19FN6O4

M.W.:
390.38

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
151.57

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3823299

Name:
(2R,3R,4S,5R)-2-(6-Amino-8-(dimethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)Show More⌵

Mol. Formula:
C12H18N6O4

M.W.:
310.31

Type:
Small molecule

AlogP:
-1.91

Polar Surface Area:
142.78

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3822515

Name:
(2R,3R,4S,5R)-2-(6-Amino-8-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydShow More⌵

Mol. Formula:
C11H15N5O5

M.W.:
297.27

Type:
Small molecule

AlogP:
-1.97

Polar Surface Area:
148.77

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3823801

Name:
(2R,3R,4S,5R)-2-(6-Amino-8-(methylamino)-9H-purin-9-yl)-5-methyltetrahydrofShow More⌵

Mol. Formula:
C11H16N6O3

M.W.:
280.29

Type:
Small molecule

AlogP:
-0.91

Polar Surface Area:
131.34

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3091944

Name:
2-((3-ethyl-5-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolShow More⌵

Mol. Formula:
C35H44ClFN6O3S3

M.W.:
747.43

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091943

Name:
2-((3-ethyl-5-(5-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolShow More⌵

Mol. Formula:
C35H44ClFN6O3S3

M.W.:
747.43

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091942

Name:
2-((3-ethyl-5-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolShow More⌵

Mol. Formula:
C35H44ClFN6O3S3

M.W.:
747.43

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091941

Name:
2-((3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylShow More⌵

Mol. Formula:
C35H45ClN6O3S3

M.W.:
729.44

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3091931

Name:
2-((3-ethyl-5-(3-methyl-6-(trifluoromethyl)benzo[d]thiazol-2(3H)-ylidene)-4Show More⌵

Mol. Formula:
C36H44ClF3N6O3S3

M.W.:
797.44

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3091930

Name:
2-((3-ethyl-5-(6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazoShow More⌵

Mol. Formula:
C36H47ClN6O4S3

M.W.:
759.46

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
108.58

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3091929

Name:
2-((5-(5-(1,1-difluoroethyl)-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethylShow More⌵

Mol. Formula:
C37H47ClF2N6O3S3

M.W.:
793.47

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3091928

Name:
2-((3-ethyl-5-(5-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazoShow More⌵

Mol. Formula:
C36H47ClN6O4S3

M.W.:
759.46

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
108.58

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3091927

Name:
2-((5-(7-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolShow More⌵

Mol. Formula:
C35H44Cl2N6O3S3

M.W.:
763.88

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091926

Name:
2-((5-(6-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolShow More⌵

Mol. Formula:
C35H44Cl2N6O3S3

M.W.:
763.88

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091728

Name:
2-((5-(5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolShow More⌵

Mol. Formula:
C35H44Cl2N6O3S3

M.W.:
763.88

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091727

Name:
2-((5-(4-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-ethyl-4-oxothiazolShow More⌵

Mol. Formula:
C35H44Cl2N6O3S3

M.W.:
763.88

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
99.35

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3091726

Name:
2-((3-ethyl-5-(7-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolShow More⌵

Mol. Formula:
C35H44ClFN6O3S3

M.W.:
747.43