Compounds

ALA5281181

Name:
(1,4-diazepan-1-yl)(1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyraShow More⌵

Mol. Formula:
C19H24N4O3

M.W.:
356.43

Type:
---

AlogP:
1.39

Polar Surface Area:
68.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5277877

Name:
N-(2,3-difluorobenzyl)-1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pShow More⌵

Mol. Formula:
C21H19F2N3O3

M.W.:
399.40

Type:
---

AlogP:
3.16

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5277419

Name:
1,4-diazabicyclo[3.2.2]nonan-4-yl-[1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyShow More⌵

Mol. Formula:
C21H26N4O3

M.W.:
382.46

Type:
---

AlogP:
1.87

Polar Surface Area:
59.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5273405

Name:
Rac-(6-(hydroxymethyl)-1,4-diazepan-1-yl)(1-(4-methoxyphenyl)-1,4,6,7-tetraShow More⌵

Mol. Formula:
C20H26N4O4

M.W.:
386.45

Type:
---

AlogP:
0.61

Polar Surface Area:
88.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5291482

Name:
(3-(1,2-dimethyl-1H-imidazol-5-yl)azetidin-1-yl)(1-(4-methoxyphenyl)-1,4,6,Show More⌵

Mol. Formula:
C22H25N5O3

M.W.:
407.47

Type:
---

AlogP:
2.24

Polar Surface Area:
74.41

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5291288

Name:
(1,4-diazabicyclo[3.2.2]nonan-4-yl)(1-(3-chloro-4-fluorophenyl)-1,4,6,7-tetShow More⌵

Mol. Formula:
C20H22ClFN4O2

M.W.:
404.87

Type:
---

AlogP:
2.66

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5290844

Name:
(1,4-diazabicyclo[3.2.2]nonan-4-yl)(3-(3-chloro-4-fluorophenyl)-4,7-dihydroShow More⌵

Mol. Formula:
C20H22ClFN4O2

M.W.:
404.87

Type:
---

AlogP:
3.16

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5288301

Name:
Rac-(6-fluoro-4-methyl-1,4-diazepan-1-yl)(1-(4-methoxyphenyl)-1,4,6,7-tetraShow More⌵

Mol. Formula:
C20H25FN4O3

M.W.:
388.44

Type:
---

AlogP:
1.68

Polar Surface Area:
59.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5286114

Name:
(4-ethyl-1,4-diazepan-1-yl)(1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,Show More⌵

Mol. Formula:
C21H28N4O3

M.W.:
384.48

Type:
---

AlogP:
2.12

Polar Surface Area:
59.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5270537

Name:
(1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)(4-methyl-Show More⌵

Mol. Formula:
C20H26N4O3

M.W.:
370.45

Type:
---

AlogP:
1.73

Polar Surface Area:
59.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5267915

Name:
1-(4-(1-(4-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyShow More⌵

Mol. Formula:
C21H26N4O4

M.W.:
398.46

Type:
---

AlogP:
1.65

Polar Surface Area:
76.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5198393

Name:
4-(2-(2,2-difluoroethoxy)phenyl)-6-(difluoromethyl)-2-(4-(2-hydroxypropan-2Show More⌵

Mol. Formula:
C25H22F4N2O3

M.W.:
474.45

6 activity values

3 unique targets

Type:
---

AlogP:
5.72

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5197585

Name:
4-(2-(2,2-difluoroethoxy)phenyl)-2-(4-(2-hydroxypropan-2-yl)phenyl)-6-(3-meShow More⌵

Mol. Formula:
C28H28F2N2O4

M.W.:
494.54

15 activity values

5 unique targets

Type:
---

AlogP:
5.07

Polar Surface Area:
71.89

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5197108

Name:
7-(2-chloro-5-cyanophenyl)-N-((1S,3R)-3-hydroxycyclopentyl)benzofuran-2-carShow More⌵

Mol. Formula:
C21H17ClN2O3

M.W.:
380.83

1 activity values

1 unique targets

Type:
---

AlogP:
4.27

Polar Surface Area:
86.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5200972

Name:
4-(2-(2,2-difluoroethoxy)phenyl)-2-(4-(2-hydroxypropan-2-yl)phenyl)-2,3-dihShow More⌵

Mol. Formula:
C24H22F2N2O3

M.W.:
424.45

6 activity values

3 unique targets

Type:
---

AlogP:
4.78

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5307654

Name:
JNJ_8034

Mol. Formula:
C25H26N4O3

M.W.:
430.51

Type:
---

AlogP:
2.93

Polar Surface Area:
69.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5195638

Name:
5-chloro-7-(5-cyano-2-isopropoxyphenyl)-N-((1s,3s)-3-hydroxycyclobutyl)benzShow More⌵

Mol. Formula:
C23H21ClN2O4

M.W.:
424.88

1 activity values

1 unique targets

Type:
---

AlogP:
4.67

Polar Surface Area:
95.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5193757

Name:
4-(2-(2,2-difluoroethoxy)phenyl)-6-(2-fluoropropan-2-yl)-2-(4-(2-hydroxyproShow More⌵

Mol. Formula:
C27H27F3N2O3

M.W.:
484.52

6 activity values

3 unique targets

Type:
---

AlogP:
5.98

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5192371

Name:
4-(2-(2,2-difluoroethoxy)phenyl)-2-(4-(2-hydroxypropan-2-yl)phenyl)-N,N-dimShow More⌵

Mol. Formula:
C27H27F2N3O4

M.W.:
495.53

6 activity values

3 unique targets

Type:
---

AlogP:
4.48

Polar Surface Area:
82.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5191157

Name:
N-(1,6-naphthyridin-2-yl)-7-(2-(2,2,2-trifluoroethoxy)phenyl)benzofuran-2-cShow More⌵

Mol. Formula:
C25H16F3N3O3

M.W.:
463.42

1 activity values

1 unique targets

Type:
---

AlogP:
6.24

Polar Surface Area:
77.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS