Compounds

ALA5265990

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2-(trifluoromethyl)phenyl)-pyridin-3-yl)iShow More⌵

Mol. Formula:
C22H17F3N4O2

M.W.:
426.40

Type:
---

AlogP:
4.76

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5221066

Name:
Meroantarctine B

Mol. Formula:
C24H28O9

M.W.:
460.48

10 activity values

8 unique targets

Type:
---

AlogP:
1.66

Polar Surface Area:
122.27

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5281592

Name:
N-(4-(4-Chloro-2-fluorophenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonShow More⌵

Mol. Formula:
C21H16ClFN4O2

M.W.:
410.84

Type:
---

AlogP:
4.54

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5281538

Name:
4-(4-(pyridin-2-yl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C19H18N6

M.W.:
330.40

Type:
---

AlogP:
2.83

Polar Surface Area:
60.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5281162

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-benzyl-5H-pyrrolo[3,2-d]pyriShow More⌵

Mol. Formula:
C28H27N7

M.W.:
461.57

Type:
---

AlogP:
4.20

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5280385

Name:
4-(4-benzylpiperazin-1-yl)-5-(4-ethoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine-7Show More⌵

Mol. Formula:
C26H26N6O

M.W.:
438.54

Type:
---

AlogP:
4.01

Polar Surface Area:
70.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5280368

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2,4-dichlorophenyl)pyridin-3-yl)isonicotiShow More⌵

Mol. Formula:
C21H16Cl2N4O2

M.W.:
427.29

Type:
---

AlogP:
5.05

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5280305

Name:
2-(Cyclopropanecarboxamido)-N-(4-(3-fluorophenyl)pyridin-3-yl)isonicotinamiShow More⌵

Mol. Formula:
C21H17FN4O2

M.W.:
376.39

Type:
---

AlogP:
3.88

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5280241

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2-chlorophenyl)pyridin-3-yl)isonicotinamiShow More⌵

Mol. Formula:
C21H17ClN4O2

M.W.:
392.85

Type:
---

AlogP:
4.40

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5279701

Name:
4-(4-phenethylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C22H23N5

M.W.:
357.46

Type:
---

AlogP:
3.48

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5278847

Name:
N-(4-(4-(tert-Butyl)phenyl)pyridin-3-yl)-2-(cyclopropanecarboxamido)isonicoShow More⌵

Mol. Formula:
C25H26N4O2

M.W.:
414.51

Type:
---

AlogP:
5.04

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5278701

Name:
2-(Cyclopropanecarboxamido)-N-(4-(4-(trifluoromethoxy)-phenyl)pyridin-3-yl)Show More⌵

Mol. Formula:
C22H17F3N4O3

M.W.:
442.40

Type:
---

AlogP:
4.64

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5277187

Name:
2-(Cyclopropanecarboxamido)-N-(pyridin-3-yl)isonicotinamide

Mol. Formula:
C15H14N4O2

M.W.:
282.30

Type:
---

AlogP:
2.08

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5276348

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2,2,2-trifluoroethoxy)-pyridin-3-yl)isoniShow More⌵

Mol. Formula:
C17H15F3N4O3

M.W.:
380.33

Type:
---

AlogP:
3.02

Polar Surface Area:
93.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5275978

Name:
4-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C21H22N6

M.W.:
358.45

Type:
---

AlogP:
2.87

Polar Surface Area:
60.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5275532

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-phenethyl-5H-pyrrolo[3,2-d]pShow More⌵

Mol. Formula:
C29H29N7

M.W.:
475.60

Type:
---

AlogP:
4.39

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5275223

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-phenyl-5H-pyrrolo[3,2-d]pyriShow More⌵

Mol. Formula:
C27H25N7

M.W.:
447.55

Type:
---

AlogP:
4.14

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5274152

Name:
N-(4-Chloropyridin-3-yl)-2-(cyclopropanecarboxamido)-isonicotinamide

Mol. Formula:
C15H13ClN4O2

M.W.:
316.75

Type:
---

AlogP:
2.73

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5274110

Name:
2-(Cyclopropanecarboxamido)-N-(2-hydroxypyridin-3-yl)-isonicotinamide

Mol. Formula:
C15H14N4O3

M.W.:
298.30

Type:
---

AlogP:
1.78

Polar Surface Area:
104.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5273872

Name:
2-(Cyclopropanecarboxamido)-N-(4-(2,4-difluorophenyl)pyridin-3-yl)isonicotiShow More⌵

Mol. Formula:
C21H16F2N4O2

M.W.:
394.38

Type:
---

AlogP:
4.02

Polar Surface Area:
83.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS