Compounds

ALA5278213

Name:
6,7-dimethyl-3-((4-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)methyl)quinoxalin-2Show More⌵

Mol. Formula:
C18H16N6O

M.W.:
332.37

Type:
---

AlogP:
2.11

Polar Surface Area:
89.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5286640

Name:
6-chloro-2-methyl-3-((phenethylthio)methyl)imidazo[1,2-b]pyridazine

Mol. Formula:
C16H16ClN3S

M.W.:
317.85

Type:
---

AlogP:
4.17

Polar Surface Area:
30.19

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4649652

Name:
Pentyl ((5S)-5-(((4-amino-5-fluoropyrimidin-2-yl)oxy)methyl)-2-oxido-1,4,2-Show More⌵

Mol. Formula:
C18H30FN4O6P

M.W.:
448.43

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4644861

Name:
Pentyl (((((S)-1-((4-amino-5-fluoropyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)Show More⌵

Mol. Formula:
C24H35F2N4O6P

M.W.:
544.54

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4643983

Name:
Pentyl (((((S)-1-((4-aminopyrimidin-2-yl)oxy)propan-2-yl)oxy)methyl)(phenoxShow More⌵

Mol. Formula:
C24H37N4O6P

M.W.:
508.56

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4642990

Name:
(R)-(((1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)methyl)phosphShow More⌵

Mol. Formula:
C8H13FN3O5P

M.W.:
281.18

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.07

Polar Surface Area:
127.79

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4641987

Name:
Pentyl ((5R)-5-(((4-amino-5-fluoropyrimidin-2-yl)oxy)methyl)-2-oxido-1,4,2-Show More⌵

Mol. Formula:
C18H30FN4O6P

M.W.:
448.43

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4640824

Name:
Pentyl (((((R)-1-((4-aminopyrimidin-2-yl)oxy)propan-2-yl)oxy)methyl)(phenoxShow More⌵

Mol. Formula:
C24H37N4O6P

M.W.:
508.56

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4640654

Name:
Dipentyl (((((S)-1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)metShow More⌵

Mol. Formula:
C28H42FN4O8P

M.W.:
612.64

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
161.19

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4639887

Name:
Pentyl ((5R)-5-(((4-aminopyrimidin-2-yl)oxy)methyl)-2-oxido-1,4,2-dioxaphosShow More⌵

Mol. Formula:
C18H31N4O6P

M.W.:
430.44

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4639857

Name:
Pentyl (((((R)-1-((4-amino-5-fluoropyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)Show More⌵

Mol. Formula:
C24H35F2N4O6P

M.W.:
544.54

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4639275

Name:
Pentyl (((((R)-1-((4-amino-5-fluoropyrimidin-2-yl)oxy)propan-2-yl)oxy)methyShow More⌵

Mol. Formula:
C24H36FN4O6P

M.W.:
526.55

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4637307

Name:
Dipentyl (((((R)-1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)metShow More⌵

Mol. Formula:
C28H42FN4O8P

M.W.:
612.64

11 activity values

5 unique targets

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
161.19

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4637193

Name:
Pentyl (((((R)-1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)methyShow More⌵

Mol. Formula:
C24H36FN4O6P

M.W.:
526.55

11 activity values

5 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4636642

Name:
butyl (2S)-2-[[[2-(4-aminopyrimidin-2-yl)oxy-1-methyl-ethoxy]methyl-phenoxyShow More⌵

Mol. Formula:
C23H35N4O6P

M.W.:
494.53

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4635841

Name:
Pentyl ((5S)-5-(((4-aminopyrimidin-2-yl)oxy)methyl)-2-oxido-1,4,2-dioxaphosShow More⌵

Mol. Formula:
C18H31N4O6P

M.W.:
430.44

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4635303

Name:
Pentyl (((((S)-1-((4-amino-5-fluoropyrimidin-2-yl)oxy)propan-2-yl)oxy)methyShow More⌵

Mol. Formula:
C24H36FN4O6P

M.W.:
526.55

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4632934

Name:
(S)-(((1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)methyl)phosphShow More⌵

Mol. Formula:
C8H13FN3O5P

M.W.:
281.18

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.07

Polar Surface Area:
127.79

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4632509

Name:
Pentyl (((((S)-1-((4-aminopyrimidin-2-yl)oxy)-3-fluoropropan-2-yl)oxy)methyShow More⌵

Mol. Formula:
C24H36FN4O6P

M.W.:
526.55

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
134.89

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3827970

Name:
9-(((4R,6S)-2-benzyl-6-((tert-butyldiphenylsilyloxy)methyl)-2,4,5,6-tetrahyShow More⌵

Mol. Formula:
C36H38ClN7OSi

M.W.:
648.29

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS