Compounds

ALA4589970

Name:
2-(9-methyl-2-p-tolyl-5H-chromeno[2,3-d]pyrimidin-4-ylthio)-N-phenylacetamiShow More⌵

Mol. Formula:
C27H23N3O2S

M.W.:
453.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
6.19

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4588628

Name:
3-(2-(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-ylthio)acetamido)benzShow More⌵

Mol. Formula:
C27H21N3O4S

M.W.:
483.55

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
101.41

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4575982

Name:
3-(2-(9-methoxy-2-p-tolyl-5H-chromeno[2,3-d]pyrimidin-4-ylthio)acetamido)beShow More⌵

Mol. Formula:
C28H23N3O5S

M.W.:
513.58

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
110.64

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4574490

Name:
2-((5-(4-fluorobenzyl)-7-oxo-2H-[1,2,3]triazolo[4,5-d]pyrimidin-3(7H)-yl)meShow More⌵

Mol. Formula:
C21H19FN6O3S

M.W.:
454.49

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
114.79

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4564613

Name:
2-((5-(4-fluorobenzyl)-7-oxo-2H-[1,2,3]triazolo[4,5-d]pyrimidin-3(7H)-yl)meShow More⌵

Mol. Formula:
C21H19FN6O2S

M.W.:
438.49

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4553922

Name:
2-((5-(4-fluorobenzyl)-7-oxo-2H-[1,2,3]triazolo[4,5-d]pyrimidin-3(7H)-yl)meShow More⌵

Mol. Formula:
C20H16F2N6O2S

M.W.:
442.45

2 activity values

1 unique targets

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4553820

Name:
N-(4-bromophenyl)-2-(1-(4-fluorophenyl)-4-oxo-2,4-dihydro-1H-pyrazolo[3,4-dShow More⌵

Mol. Formula:
C19H13BrFN5O2S

M.W.:
474.32

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
92.67

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4457001

Name:
3-(2-(2-(4-hydroxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-ylthio)acetamido)beShow More⌵

Mol. Formula:
C26H19N3O5S

M.W.:
485.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
121.64

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4434988

Name:
N-(3,5-dimethylphenyl)-2-((5-(4-fluorobenzyl)-7-oxo-2H-[1,2,3]triazolo[4,5-Show More⌵

Mol. Formula:
C22H21FN6O2S

M.W.:
452.52

6 activity values

2 unique targets

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2364560

Name:
[6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,4,5-trihydroxy-tetrahydro-pyranShow More⌵

Mol. Formula:
C10H14N5O8P

M.W.:
363.22

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
-2.16

Polar Surface Area:
206.30

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS