Compounds

Type:
---

AlogP:
3.87

Polar Surface Area:
117.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5204267

Name:
2-[[1-(cyclohexoxy)-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl]amino]acetiShow More⌵

Mol. Formula:
C24H24N2O6

M.W.:
436.46

2 activity values

Type:
---

AlogP:
4.26

Polar Surface Area:
117.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5194312

Name:
(7-(3-Benzylphenoxy)-1-ethoxy-4-hydroxyisoquinoline-3-carbonyl)glycine

Mol. Formula:
C27H24N2O6

M.W.:
472.50

1 activity values

Type:
---

AlogP:
4.54

Polar Surface Area:
117.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5176496

Name:
2-{[7-(3-benzylphenoxy)-4-hydroxy-1-methoxyisoquinolin-3-yl]formamido}acetiShow More⌵

Mol. Formula:
C26H22N2O6

M.W.:
458.47

1 activity values

Type:
---

AlogP:
4.15

Polar Surface Area:
117.98

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4800526

Name:
(2-{[(3-Chlorophenyl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)(morpholinShow More⌵

Mol. Formula:
C20H20ClN3O4

M.W.:
401.85

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4796689

Name:
(2-{[(4-Chloropyridin-2-yl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)[(5RShow More⌵

Mol. Formula:
C23H27ClN4O5

M.W.:
474.95

12 activity values

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
109.95

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4796324

Name:
rac-trans-(2-{[(6-Chloropyridin-2-yl)methyl]amino}-7-methoxy-1,3-benzoxazolShow More⌵

Mol. Formula:
C21H23ClN4O4

M.W.:
430.89

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
100.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4793674

Name:
rac-trans-{2-[(5-Chloro-2-hydroxybenzyl)amino]-7-methoxy-1,3-benzoxazol-5-yShow More⌵

Mol. Formula:
C22H24ClN3O5

M.W.:
445.90

Type:
Unknown

AlogP:
3.65

Polar Surface Area:
108.06

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4793547

Name:
(2-{[(4-Chloropyridin-2-yl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)[5-(Show More⌵

Mol. Formula:
C24H27ClN4O5

M.W.:
486.96

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
109.95

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4793166

Name:
{2-[(3-Chlorobenzyl)amino]-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-6-yl}[5-(Show More⌵

Mol. Formula:
C24H28ClN5O4

M.W.:
485.97

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
101.22

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4787137

Name:
rac-cis-{2-[(3-Chlorobenzyl)amino]-7-methoxy-1,3-benzoxazol-5-yl}[2-(2-hydrShow More⌵

Mol. Formula:
C24H28ClN3O4

M.W.:
457.96

8 activity values

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4786634

Name:
(2-{[(1R)-1-(3-Chlorophenyl)ethyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)[(2SShow More⌵

Mol. Formula:
C24H28ClN3O5

M.W.:
473.96

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
97.06

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4785385

Name:
(2-{[(3-Chlorophenyl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)(pyrrolidiShow More⌵

Mol. Formula:
C20H20ClN3O3

M.W.:
385.85

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4783934

Name:
rac-{2-[(3-Chlorobenzyl)amino]-7-methoxy-1,3-benzoxazol-5-yl}[(2-cyclopropyShow More⌵

Mol. Formula:
C25H28ClN3O4

M.W.:
469.97

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4781058

Name:
rac-trans-{2-[(5-Chloro-2-fluorobenzyl)amino]-7-methoxy-1,3-benzoxazol-5-ylShow More⌵

Mol. Formula:
C22H23ClFN3O4

M.W.:
447.89

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4780902

Name:
rac-{2-[(3-Chlorobenzyl)amino]-7-methoxy-1,3-benzoxazol-5-yl}[2-ethyl-4-hydShow More⌵

Mol. Formula:
C24H28ClN3O4

M.W.:
457.96

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4780106

Name:
(2-{[(3-Chlorophenyl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)(3,3-dimetShow More⌵

Mol. Formula:
C22H24ClN3O3

M.W.:
413.91

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4779404

Name:
rac-(2-{[(3-Chlorophenyl)methyl]amino}-7-methoxy-1,3-benzoxazol-5-yl)[(4R)-Show More⌵

Mol. Formula:
C23H26ClN3O4

M.W.:
443.93

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4778975

Name:
{2-[(3-Chlorobenzyl)amino]-7-methoxy-1,3-benzoxazol-5-yl}[(3R,4R)-4-hydroxyShow More⌵

Mol. Formula:
C22H24ClN3O4

M.W.:
429.90

15 activity values

5 unique targets

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
87.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4776950

Name:
{2-[(3-Chlorobenzyl)amino]-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-6-yl}[(5RShow More⌵

Mol. Formula:
C23H28ClN5O4

M.W.:
473.96

12 activity values