Compounds

Type:
---

AlogP:
5.18

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5221088

Name:
(R)-1-(1-(4-Chlorophenyl)cyclopentane-1-carbonyl)-N-(4-methoxyphenyl)piperiShow More⌵

Mol. Formula:
C25H29ClN2O3

M.W.:
440.97

Type:
---

AlogP:
5.18

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5221053

Name:
(R)-1-(1-(4-Chlorophenyl)cyclobutane-1-carbonyl)-N-(1H-pyrazolo[4,3-b]pyridShow More⌵

Mol. Formula:
C22H22ClN5O2

M.W.:
423.90

Type:
---

AlogP:
3.66

Polar Surface Area:
90.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5221030

Name:
(R)-1-(1-(3-Chlorophenyl)cyclopentane-1-carbonyl)-N-(4-(methylcarbamoyl)pheShow More⌵

Mol. Formula:
C25H28ClN3O3

M.W.:
453.97

Type:
---

AlogP:
4.14

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5220994

Name:
(2R,4R)-1-(1-(4-Chlorophenyl)-3,3-difluorocyclobutane-1-carbonyl)-4-fluoro-Show More⌵

Mol. Formula:
C22H19ClF3N5O2

M.W.:
477.87

20 activity values

10 unique targets

Type:
---

AlogP:
3.86

Polar Surface Area:
90.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5220956

Name:
(R)-1-(1-(4-Chlorophenyl)-3,3-difluorocyclobutane-1-carbonyl)-N-(1H-pyrazolShow More⌵

Mol. Formula:
C22H20ClF2N5O2

M.W.:
459.88

10 activity values

4 unique targets

Type:
---

AlogP:
3.91

Polar Surface Area:
90.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5220732

Name:
(R)-1-(1-(4-Cyanophenyl)cyclobutane-1-carbonyl)-N-(1H-pyrazolo[4,3-b]pyridiShow More⌵

Mol. Formula:
C23H22N6O2

M.W.:
414.47

9 activity values

4 unique targets

Type:
---

AlogP:
2.88

Polar Surface Area:
114.77

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5220546

Name:
(R)-1-(1-(3-chlorophenyl)cyclopentane-1-carbonyl)-N-(2-oxoindolin-5-yl)pyrrShow More⌵

Mol. Formula:
C25H26ClN3O3

M.W.:
451.95

Type:
---

AlogP:
4.28

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5220447

Name:
(R)-1-(1-(4-Methoxyphenyl)cyclobutane-1-carbonyl)-N-(1H-pyrazolo[4,3-b]pyriShow More⌵

Mol. Formula:
C23H25N5O3

M.W.:
419.49

Type:
---

AlogP:
3.02

Polar Surface Area:
100.21

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5220332

Name:
(R)-1-(1-(3-Chlorophenyl)cyclopentane-1-carbonyl)-N-(1H-indazol-5-yl)pyrrolShow More⌵

Mol. Formula:
C24H25ClN4O2

M.W.:
436.94

Type:
---

AlogP:
4.66

Polar Surface Area:
78.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5220135

Name:
(R)-1-(2-(4-Chlorophenyl)-2-methylpropanoyl)-N-(4-methoxyphenyl)pyrrolidineShow More⌵

Mol. Formula:
C22H25ClN2O3

M.W.:
400.91

Type:
---

AlogP:
4.26

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5196404

Name:
2,3-bis(4-ethylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine

Mol. Formula:
C26H31N3O

M.W.:
401.55

Type:
---

AlogP:
5.31

Polar Surface Area:
47.04

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5204412

Name:
2,3-bis(4-bromophenyl)-5-(pyrrolidin-3-ylmethoxy)pyrazine

Mol. Formula:
C21H19Br2N3O

M.W.:
489.21

Type:
---

AlogP:
5.32

Polar Surface Area:
47.04

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5203529

Name:
(S)-4-(1-(2-(3-chloro-4-methoxyphenethyl)-5-(2-methyl-2H-1,2,3-triazol-4-ylShow More⌵

Mol. Formula:
C26H31ClN6O2

M.W.:
495.03

1 activity values

Type:
---

AlogP:
4.00

Polar Surface Area:
70.23

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5199445

Name:
(trans)-3-(2-(3-chloro-4-methoxyphenethyl)-5-(3,5-dimethylisoxazol-4-yl)-1HShow More⌵

Mol. Formula:
C25H26ClN3O3

M.W.:
451.95

1 activity values

Type:
---

AlogP:
5.45

Polar Surface Area:
73.31

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5219851

Name:
(R)-1-(1-(4-Chlorophenyl)cyclopentane-1-carbonyl)-N-(4-methoxyphenyl)pyrrolShow More⌵

Mol. Formula:
C24H27ClN2O3

M.W.:
426.94

Type:
---

AlogP:
4.79

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5219712

Name:
(R)-1-(1-(4-chlorophenyl)cyclopentanecarbonyl)-N-(3-(methylcarbamoyl)benzylShow More⌵

Mol. Formula:
C26H30ClN3O3

M.W.:
468.00

1 activity values

Type:
---

AlogP:
3.82

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5219693

Name:
(R)-1-(1-(3-Chlorophenyl)cyclopentane-1-carbonyl)-N-(1H-pyrazolo[4,3-b]pyriShow More⌵

Mol. Formula:
C23H24ClN5O2

M.W.:
437.93

Type:
---

AlogP:
4.05

Polar Surface Area:
90.98

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5219678

Name:
(R)-1-(1-(3-Chlorophenyl)cyclopentane-1-carbonyl)-N-(2-oxo-2,3-dihydro-1H-bShow More⌵

Mol. Formula:
C24H25ClN4O3

M.W.:
452.94