Compounds

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA576572

Name:
3-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)phenyl)-1,Show More⌵

Mol. Formula:
C21H26ClN3O3

M.W.:
403.91

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA575443

Name:
methyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-Show More⌵

Mol. Formula:
C21H21FN2O6

M.W.:
416.41

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA575229

Name:
methyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-2-Show More⌵

Mol. Formula:
C21H21FN2O6

M.W.:
416.41

84 activity values

15 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA575228

Name:
2-(7-fluoro-2-methyl-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazShow More⌵

Mol. Formula:
C21H15FN2O4

M.W.:
378.36

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA577803

Name:
2-(7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-Show More⌵

Mol. Formula:
C20H13FN2O4

M.W.:
364.33

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA577789

Name:
3-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluoropShow More⌵

Mol. Formula:
C21H25ClFN3O3

M.W.:
421.90

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA573882

Name:
methyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-2-Show More⌵

Mol. Formula:
C20H19FN2O6

M.W.:
402.38

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA577788

Name:
ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-2-mShow More⌵

Mol. Formula:
C27H25FN2O6

M.W.:
492.50

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA575006

Name:
3-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-Show More⌵

Mol. Formula:
C19H19Cl2FN2O3

M.W.:
413.28

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA576355

Name:
N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)phenylcarbShow More⌵

Mol. Formula:
C22H18ClN3O4

M.W.:
423.86

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA573877

Name:
N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluoropShow More⌵

Mol. Formula:
C23H16ClF4N3O5

M.W.:
525.84

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA576568

Name:
2-(7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)iShow More⌵

Mol. Formula:
C19H11FN2O4

M.W.:
350.31

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA578034

Name:
N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluoropShow More⌵

Mol. Formula:
C22H17ClFN3O4

M.W.:
441.85

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA578226

Name:
4-fluoro-2-(7-fluoro-2-methyl-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b]Show More⌵

Mol. Formula:
C20H12F2N2O4

M.W.:
382.32

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
66.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA575012

Name:
ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-oShow More⌵

Mol. Formula:
C21H21FN2O6

M.W.:
416.41

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA573884

Name:
2,6-dichloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-Show More⌵

Mol. Formula:
C22H15Cl3FN3O4

M.W.:
510.74

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA573409

Name:
2-chloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-Show More⌵

Mol. Formula:
C22H15Cl2F2N3O4

M.W.:
494.28

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA576356

Name:
2,4-dichloro-N-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-Show More⌵

Mol. Formula:
C22H15Cl3FN3O4

M.W.:
510.74

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA573881

Name:
1-(2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-4-fluoropShow More⌵

Mol. Formula:
C21H16Cl2FN3O3

M.W.:
448.28