Compounds

Type:
---

AlogP:
4.28

Polar Surface Area:
133.53

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4795453

Name:
1-(4-benzylpiperazin-l-y1)-2-{4-[(quinazolin-4-ylamino)methyl]-1H-1,2,3-triShow More⌵

Mol. Formula:
C24H26N8O

M.W.:
442.53

1 unique targets

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
92.07

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4795117

Name:
2[(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-1H-1,2,3-triazol-4yl)methyl]isShow More⌵

Mol. Formula:
C22H17ClN6O2

M.W.:
432.87

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
93.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4788815

Name:
1-(4-benzylpiperazin-l-yl)-2-{4-[(1H-benzo[d]imidazol-2-yl)thiomethyl]-1H-1Show More⌵

Mol. Formula:
C23H25N7OS

M.W.:
447.57

1 unique targets

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
82.94

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4785697

Name:
N-[(1-{2-[(2,7-dichloroquinolin-4-yl)amino]ethyl}-1H-1,2,3-triazol-4-yl)metShow More⌵

Mol. Formula:
C24H23ClN8O2

M.W.:
490.96

8 activity values

3 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
111.90

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4777383

Name:
N-[(1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl]Show More⌵

Mol. Formula:
C22H19ClN8

M.W.:
430.90

8 activity values

3 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
93.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4756229

Name:
7-({1-[(1-benzylpiperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}methoxy)-3,8a-Show More⌵

Mol. Formula:
C26H28N4O3

M.W.:
444.54

8 activity values

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
73.39

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4592571

Name:
N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)-1H-pyrrolo[2,3-c]pyridin-7-amiShow More⌵

Mol. Formula:
C18H18ClN3O

M.W.:
327.82

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
49.94

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4592211

Name:
(R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(quinoxalin-2-yl)ethane-1,2-dionShow More⌵

Mol. Formula:
C22H20N4O3

M.W.:
388.43

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
83.47

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4590979

Name:
3-(3-(2-chloro-5-(4-cyclopropyl-1,3,5-triazin-2-ylamino)phenoxy)-5-methylphShow More⌵

Mol. Formula:
C22H18ClN5O

M.W.:
403.87

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
83.72

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4582105

Name:
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-methoxy-1H-indol-2-yl)ethane-1,2-Show More⌵

Mol. Formula:
C23H23N3O4

M.W.:
405.45

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
82.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4580617

Name:
(R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-methoxyquinolin-2-yl)ethane-1Show More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
79.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4580178

Name:
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1H-indol-7-yl)ethane-1,2-dione

Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
73.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4574291

Name:
N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)pyrrolo[1,2-c]pyrimidin-1-amine

Mol. Formula:
C18H18ClN3O

M.W.:
327.82

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
38.56

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4572699

Name:
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-fluoroquinolin-2-yl)ethane-1,2-diShow More⌵

Mol. Formula:
C23H20FN3O3

M.W.:
405.43

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
70.58

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4564091

Name:
(R)-1-(benzo[d]thiazol-2-yl)-2-(4-benzoyl-2-methylpiperazin-1-yl)ethane-1,2Show More⌵

Mol. Formula:
C21H19N3O3S

M.W.:
393.47

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
70.58

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4563495

Name:
1-(4-benzoylpiperazin-1-yl)-2-(quinolin-7-yl)ethane-1,2-dione

Mol. Formula:
C22H19N3O3

M.W.:
373.41

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
70.58

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4560338

Name:
N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)pyrrolo[1,2-a]pyrazin-1-amine

Mol. Formula:
C18H18ClN3O

M.W.:
327.82

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
38.56

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4559077

Name:
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-methoxyquinolin-2-yl)ethane-1,2-dShow More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
79.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4558838

Name:
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4,6-dimethoxy-1H-indol-2-yl)ethane-Show More⌵

Mol. Formula:
C24H25N3O5

M.W.:
435.48