Compounds

Type:
---

AlogP:
5.28

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5196200

Name:
3-(2-fluorobenzyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[d]oxazol-2(3H)-onShow More⌵

Mol. Formula:
C21H14FN3O2

M.W.:
359.36

Type:
---

AlogP:
4.33

Polar Surface Area:
63.82

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5209452

Name:
5-(1-(3-Methoxybenzyl)-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine

Mol. Formula:
C23H19N3O

M.W.:
353.43

Type:
---

AlogP:
5.24

Polar Surface Area:
42.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5209377

Name:
2-Amino-5-(4-(3-methoxybenzyl)-5-oxo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepiShow More⌵

Mol. Formula:
C23H20N4O3

M.W.:
400.44

Type:
---

AlogP:
3.25

Polar Surface Area:
101.47

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5208862

Name:
6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(4-fluorobenzyl)benzo[d]oxazShow More⌵

Mol. Formula:
C20H14FN5O2

M.W.:
375.36

Type:
---

AlogP:
3.07

Polar Surface Area:
91.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5208784

Name:
6-(6-aminopyridin-3-yl)-3-(4-fluorobenzyl)benzo[d]oxazol-2(3H)-one

Mol. Formula:
C19H14FN3O2

M.W.:
335.34

Type:
---

AlogP:
3.43

Polar Surface Area:
74.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5207296

Name:
4-(3-Methoxybenzyl)-8-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydrobShow More⌵

Mol. Formula:
C25H23N3O3

M.W.:
413.48

Type:
---

AlogP:
4.28

Polar Surface Area:
56.59

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5206353

Name:
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(3-(trifluoromethoxy)benzyl)benzo[d]oxaShow More⌵

Mol. Formula:
C22H14F3N3O3

M.W.:
425.37

Type:
---

AlogP:
5.08

Polar Surface Area:
73.05

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5205743

Name:
4-(3-Methoxybenzyl)-8-(pyrazolo[1,5-a]pyrimidin-6-yl)-3,4-dihydrobenzo[f][1Show More⌵

Mol. Formula:
C23H20N4O3

M.W.:
400.44

Type:
---

AlogP:
3.44

Polar Surface Area:
68.96

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5205558

Name:
3-((2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[d]oxazol-3(2H)-yl)methyl)bShow More⌵

Mol. Formula:
C22H14N4O2

M.W.:
366.38

Type:
---

AlogP:
4.06

Polar Surface Area:
87.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5205321

Name:
3-(3-Methoxyphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-4H-benzo[Show More⌵

Mol. Formula:
C22H17N3O3

M.W.:
371.40

Type:
---

AlogP:
4.24

Polar Surface Area:
67.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5204762

Name:
3-(3-methoxybenzyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[d]oxazol-2(3H)-oShow More⌵

Mol. Formula:
C22H17N3O3

M.W.:
371.40

10 activity values

5 unique targets

Type:
---

AlogP:
4.19

Polar Surface Area:
73.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5204404

Name:
6-(1H-indol-5-yl)-3-(3-methoxybenzyl)benzo[d]oxazol-2(3H)-one

Mol. Formula:
C23H18N2O3

M.W.:
370.41

Type:
---

AlogP:
4.80

Polar Surface Area:
60.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5202137

Name:
4-(3-Methoxybenzyl)-8-(2-methoxypyridin-4-yl)-3,4-dihydrobenzo[f][1,4]oxazeShow More⌵

Mol. Formula:
C23H22N2O4

M.W.:
390.44

Type:
---

AlogP:
3.80

Polar Surface Area:
60.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5201706

Name:
3-(3-Methoxybenzyl)-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-4H-benzo[Show More⌵

Mol. Formula:
C23H19N3O3

M.W.:
385.42

Type:
---

AlogP:
4.23

Polar Surface Area:
67.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5201691

Name:
6-(benzo[d]thiazol-5-yl)-3-(4-fluorobenzyl)benzo[d]oxazol-2(3H)-one

Mol. Formula:
C21H13FN2O2S

M.W.:
376.41

Type:
---

AlogP:
5.06

Polar Surface Area:
48.03

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5201373

Name:
3-(4-fluorobenzyl)-6-(imidazo[1,2-a]pyrimidin-3-yl)benzo[d]oxazol-2(3H)-one

Mol. Formula:
C20H13FN4O2

M.W.:
360.35

Type:
---

AlogP:
3.49

Polar Surface Area:
65.33

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5200231

Name:
3-(4-fluoro-3-methoxybenzyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[d]oxazoShow More⌵

Mol. Formula:
C22H16FN3O3

M.W.:
389.39

Type:
---

AlogP:
4.33

Polar Surface Area:
73.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5199823

Name:
6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(4-fluorobenzyl)benzo[d]oxazol-2(3Show More⌵

Mol. Formula:
C20H13FN4O2

M.W.:
360.35

Type:
---

AlogP:
3.49

Polar Surface Area:
65.33

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5199647

Name:
4-(2,5-Difluorobenzyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydrobenzo[fShow More⌵

Mol. Formula:
C23H17F2N3O2

M.W.:
405.40