Compounds

Type:
---

AlogP:
5.32

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5205689

Name:
10-(Aminomethyl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,Show More⌵

Mol. Formula:
C28H32N6O3S

M.W.:
532.67

Type:
---

AlogP:
4.02

Polar Surface Area:
117.25

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5205496

Name:
10-(Azidomethyl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,Show More⌵

Mol. Formula:
C28H30N8O3S

M.W.:
558.67

Type:
---

AlogP:
5.37

Polar Surface Area:
139.99

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5202979

Name:
[[(2R,3S,4R,5R)-5-(6-anilinopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]Show More⌵

Mol. Formula:
C16H20N5O13P3

M.W.:
583.28

7 activity values

Type:
---

AlogP:
0.53

Polar Surface Area:
265.14

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5202820

Name:
7-Phenyl-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydrShow More⌵

Mol. Formula:
C33H33N5O3S

M.W.:
579.73

Type:
---

AlogP:
6.23

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5200459

Name:
5-(3-Methyl-5-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydrShow More⌵

Mol. Formula:
C28H31N5O3S

M.W.:
517.66

Type:
---

AlogP:
4.87

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5200268

Name:
7-(Hex-1-yn-1-yl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1Show More⌵

Mol. Formula:
C33H37N5O3S

M.W.:
583.76

Type:
---

AlogP:
6.10

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5200154

Name:
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-Show More⌵

Mol. Formula:
C12H16N5O13P3

M.W.:
531.20

7 activity values

Type:
---

AlogP:
-0.96

Polar Surface Area:
257.52

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5198714

Name:
10-methyl-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydShow More⌵

Mol. Formula:
C22H15N4NaO3S

M.W.:
438.44

Type:
---

AlogP:
4.87

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5198347

Name:
5-(4-(5-Thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-2-yl)-1,5-dihydro-2Show More⌵

Mol. Formula:
C26H28N6O3S

M.W.:
504.62

Type:
---

AlogP:
3.95

Polar Surface Area:
104.12

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5197509

Name:
2',3'-O-Bis(4-methoxybenzoyl)-adenosine 5'-(Tetrahydrogene Triphosphate)

Mol. Formula:
C26H28N5O17P3

M.W.:
775.45

13 activity values

Type:
---

AlogP:
2.12

Polar Surface Area:
309.73

HBA:
18

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5197073

Name:
10-((Methylthio)methyl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pheShow More⌵

Mol. Formula:
C29H33N5O3S2

M.W.:
563.75

Type:
---

AlogP:
5.42

Polar Surface Area:
91.23

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5196647

Name:
9-(Azidomethyl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5Show More⌵

Mol. Formula:
C28H30N8O3S

M.W.:
558.67

Type:
---

AlogP:
5.37

Polar Surface Area:
139.99

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5194510

Name:
7-(Pyridin-3-ylethynyl)-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pheShow More⌵

Mol. Formula:
C34H32N6O3S

M.W.:
604.74

Type:
---

AlogP:
5.35

Polar Surface Area:
104.12

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5194243

Name:
5-(6-(5-Thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-2-yl)-1,5-dihydro-2Show More⌵

Mol. Formula:
C26H28N6O3S

M.W.:
504.62

Type:
---

AlogP:
3.95

Polar Surface Area:
104.12

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5193263

Name:
9-(Azidomethyl)-7-bromo-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pheShow More⌵

Mol. Formula:
C28H29BrN8O3S

M.W.:
637.56

Type:
---

AlogP:
6.13

Polar Surface Area:
139.99

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5184461

Name:
5-(5-(5-Thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-3-yl)-1,5-dihydro-2Show More⌵

Mol. Formula:
C26H28N6O3S

M.W.:
504.62

Type:
---

AlogP:
3.95

Polar Surface Area:
104.12

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5183364

Name:
9-methyl-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydrShow More⌵

Mol. Formula:
C22H15N4NaO3S

M.W.:
438.44

9 activity values

7 unique targets

Type:
---

AlogP:
4.87

Polar Surface Area:
91.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5183218

Name:
2',3'-O-Bis(naphtho-1-yl)-adenosine 5'-(Tetrahydrogene Triphosphate)

Mol. Formula:
C32H28N5O15P3

M.W.:
815.52

13 activity values

Type:
---

AlogP:
4.41

Polar Surface Area:
291.27

HBA:
16

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5182981

Name:
7-Ethyl-5-(3-(5-thioxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-1,5-dihydroShow More⌵

Mol. Formula:
C29H33N5O3S

M.W.:
531.68