Compounds

ALA4647306

Name:
9-((2R,3R,4S,5R)-5-(((2-(1H-indol-3-yl)ethylamino)(hydroxy)phosphoryloxy)meShow More⌵

Mol. Formula:
C21H29N8O7P

M.W.:
536.49

8 activity values

5 unique targets

Type:
Unknown

AlogP:
-1.04

Polar Surface Area:
207.71

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4646578

Name:
9-((2R,3R,4S,5R)-5-(((2-(1H-indol-3-yl)ethylamino)(hydroxy)phosphoryloxy)meShow More⌵

Mol. Formula:
C27H33N8O7P

M.W.:
612.58

7 activity values

5 unique targets

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
207.71

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4640985

Name:
2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-((mercapto(phosphonooxy)phosphorylShow More⌵

Mol. Formula:
C11H17N5O10P2S

M.W.:
473.30

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.31

Polar Surface Area:
226.42

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4640855

Name:
2-amino-7-benzyl-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonothiooxymethyl)tShow More⌵

Mol. Formula:
C17H20N5O7PS

M.W.:
469.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.91

Polar Surface Area:
179.89

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4640425

Name:
9-((2R,3R,4S,5R)-5-((((2-(1H-indol-3-yl)ethylamino)(hydroxy)phosphoryloxy)(Show More⌵

Mol. Formula:
C21H33N9O10P2

M.W.:
633.50

9 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.92

Polar Surface Area:
254.24

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4636472

Name:
2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonothiooxymethyl)tetrahydroShow More⌵

Mol. Formula:
C11H16N5O7PS

M.W.:
393.32

3 activity values

3 unique targets

Type:
Unknown

AlogP:
-2.42

Polar Surface Area:
179.89

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4635767

Name:
9-((2R,3R,4S,5R)-5-((((2-(1H-indol-3-yl)ethylamino)(hydroxy)phosphoryloxy)(Show More⌵

Mol. Formula:
C21H33N9O9P2S

M.W.:
649.56

17 activity values

5 unique targets

Type:
Unknown

AlogP:
0.02

Polar Surface Area:
234.01

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4632744

Name:
9-((2R,3R,4S,5R)-5-(((2-(1H-indol-3-yl)ethylamino)(mercapto)phosphoryloxy)mShow More⌵

Mol. Formula:
C21H29N8O6PS

M.W.:
552.55

16 activity values

5 unique targets

Type:
Unknown

AlogP:
-0.10

Polar Surface Area:
187.48

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4298680

Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(phosphonatooxy)phosphinato]oShow More⌵

Mol. Formula:
C11H20N5O13P3S

M.W.:
555.29

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.88

Polar Surface Area:
271.56

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3351004

Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-{[({[(phosphonatooxy)phosphinato]oShow More⌵

Mol. Formula:
C11H18N5O13P3S

M.W.:
553.28

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.19

Polar Surface Area:
272.95

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3351002

Name:
2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydShow More⌵

Mol. Formula:
C21H29N10O17P3S

M.W.:
818.51

Type:
Small molecule

AlogP:
-3.83

Polar Surface Area:
401.23

HBA:
24

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3351001

Name:
2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydShow More⌵

Mol. Formula:
C21H29N10O17P3S

M.W.:
818.51

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.83

Polar Surface Area:
401.23

HBA:
24

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3351000

Name:
2-amino-9-[(2R,3R,4S,5R)-5-{[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydShow More⌵

Mol. Formula:
C21H29N10O18P3

M.W.:
802.44

22 activity values

7 unique targets

Type:
Small molecule

AlogP:
-4.77

Polar Surface Area:
421.46

HBA:
24

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA1734895

Name:
SID24811220

Mol. Formula:
C19H30N2OS

M.W.:
334.53

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1731663

Name:
SID4248571

Mol. Formula:
C22H24ClN3O3

M.W.:
413.91

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
71.51

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1727959

Name:
SID17387783

Mol. Formula:
C17H14N2O2

M.W.:
278.31

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
56.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1727614

Name:
SID4245799

Mol. Formula:
C16H13N3O3

M.W.:
295.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
74.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1725621

Name:
SID4262787

Mol. Formula:
C18H18N4O3S2

M.W.:
402.50

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
78.27

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1718361

Name:
SID57269290

Mol. Formula:
C21H13NO5

M.W.:
359.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
82.58

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1716275

Name:
SID4262966

Mol. Formula:
C15H18ClFN2O2

M.W.:
312.77

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS