Compounds

Type:
---

AlogP:
-2.64

Polar Surface Area:
185.95

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5200086

Name:
4-amino-5-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydroShow More⌵

Mol. Formula:
C22H31N9O7

M.W.:
533.55

Type:
---

AlogP:
-2.97

Polar Surface Area:
241.94

HBA:
16

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5193031

Name:
(2S)-2-amino-4-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahyShow More⌵

Mol. Formula:
C26H38N10O9

M.W.:
634.65

Type:
---

AlogP:
-3.46

Polar Surface Area:
296.47

HBA:
18

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5192832

Name:
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C24H34N10O9

M.W.:
606.60

4 activity values

Type:
---

AlogP:
-3.89

Polar Surface Area:
296.47

HBA:
18

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5191050

Name:
(2S)-2-amino-5-[[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydShow More⌵

Mol. Formula:
C26H38N10O9

M.W.:
634.65

12 activity values

Type:
---

AlogP:
-3.20

Polar Surface Area:
305.26

HBA:
18

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5189315

Name:
4-amino-5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofurShow More⌵

Mol. Formula:
C20H26N8O7S

M.W.:
522.54

Type:
---

AlogP:
-2.26

Polar Surface Area:
229.91

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5189142

Name:
4-amino-5-[3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofShow More⌵

Mol. Formula:
C22H30N8O7S

M.W.:
550.60

Type:
---

AlogP:
-1.48

Polar Surface Area:
229.91

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5188584

Name:
(2S)-2-amino-4-[5-[6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahyShow More⌵

Mol. Formula:
C27H43N11O9

M.W.:
665.71

Type:
---

AlogP:
-3.22

Polar Surface Area:
297.49

HBA:
17

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5188258

Name:
(2S)-2-amino-6-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C16H27N5O6

M.W.:
385.42

Type:
---

AlogP:
-1.86

Polar Surface Area:
185.95

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5187655

Name:
4-amino-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuShow More⌵

Mol. Formula:
C20H27N9O7

M.W.:
505.49

Type:
---

AlogP:
-3.40

Polar Surface Area:
241.94

HBA:
16

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5187336

Name:
(2S)-2-amino-4-[2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahyShow More⌵

Mol. Formula:
C25H36N10O9S

M.W.:
652.69

Type:
---

AlogP:
-3.30

Polar Surface Area:
296.47

HBA:
19

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5178532

Name:
(2S)-2-amino-6-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C16H26N4O6S

M.W.:
402.47

4 activity values

Type:
---

AlogP:
-0.72

Polar Surface Area:
173.92

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5174871

Name:
(2S)-2-amino-4-[2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahyShow More⌵

Mol. Formula:
C25H36N10O9

M.W.:
620.62

Type:
---

AlogP:
-3.85

Polar Surface Area:
296.47

HBA:
18

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5173333

Name:
(2S)-2-amino-4-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrShow More⌵

Mol. Formula:
C14H22N4O6S

M.W.:
374.42

2 unique targets

Type:
---

AlogP:
-1.50

Polar Surface Area:
173.92

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5172874

Name:
4-amino-5-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydroShow More⌵

Mol. Formula:
C22H30N8O7S

M.W.:
550.60

Type:
---

AlogP:
-1.83

Polar Surface Area:
229.91

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5170757

Name:
4-amino-5-[2-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydroShow More⌵

Mol. Formula:
C21H28N8O7S

M.W.:
536.57

Type:
---

AlogP:
-2.22

Polar Surface Area:
229.91

HBA:
16

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4878570

Name:
1-(3-(1,3-di(9H-carbazol-9-yl)propan-2-yloxy)-2-hydroxypropyl)-N-hydroxypipShow More⌵

Mol. Formula:
C36H38N4O4

M.W.:
590.72

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
91.89

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4649221

Name:
N-(1,3-benzodioxol-5-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-mShow More⌵

Mol. Formula:
C26H20FN5O5

M.W.:
501.47