Compounds

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4098979

Name:
(R)-1-(4-chloro-3-(1-(2-fluoroethyl)piperidin-4-ylsulfonyl)-2-hydroxyphenylShow More⌵

Mol. Formula:
C20H27ClFN3O4S

M.W.:
459.97

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4098864

Name:
(R)-1-(4-chloro-3-((4-fluorotetrahydro-2H-pyran-4-yl)sulfonyl)-2-hydroxypheShow More⌵

Mol. Formula:
C18H22ClFN2O5S

M.W.:
432.90

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4097602

Name:
1-(4-chloro-3-((trans-3-(dimethylamino)cyclobutyl)sulfonyl)-2-hydroxyphenylShow More⌵

Mol. Formula:
C19H26ClN3O4S

M.W.:
427.95

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4095602

Name:
(R)-1-(3-(tert-butylsulfonyl)-4-chloro-2-hydroxyphenyl)-3-(2-methylcyclopenShow More⌵

Mol. Formula:
C17H23ClN2O4S

M.W.:
386.90

4 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4092148

Name:
(R)-1-(4-chloro-3-((1-cyclobutyl-4-methylpiperidin-4-yl)sulfonyl)-2-hydroxyShow More⌵

Mol. Formula:
C23H32ClN3O4S

M.W.:
482.05

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4089421

Name:
1-(4-chloro-3-((3-fluorotetrahydrofuran-3-yl)sulfonyl)-2-hydroxyphenyl)-3-(Show More⌵

Mol. Formula:
C17H20ClFN2O5S

M.W.:
418.87

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4089245

Name:
N-(2-((5-((2,6-difluoro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-metShow More⌵

Mol. Formula:
C23H22F2N4O4

M.W.:
456.45

30 activity values

20 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
94.60

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4088551

Name:
(R)-1-(4-chloro-2-hydroxy-3-((2-(tetrahydro-2H-pyran-4-yl)propan-2-yl)sulfoShow More⌵

Mol. Formula:
C21H29ClN2O5S

M.W.:
456.99

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4086957

Name:
(R)-1-(4-chloro-3-((1,1-difluoroethyl)sulfonyl)-2-hydroxyphenyl)-3-(2-methyShow More⌵

Mol. Formula:
C15H17ClF2N2O4S

M.W.:
394.83

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4084135

Name:
1-(4-chloro-2-hydroxy-3-((2-((S)-tetrahydrofuran-3-yl)propan-2-yl)sulfonyl)Show More⌵

Mol. Formula:
C20H27ClN2O5S

M.W.:
442.97

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4084077

Name:
1-(4-chloro-2-hydroxy-3-((1-methoxypropan-2-yl)sulfonyl)phenyl)-3-((R)-2-meShow More⌵

Mol. Formula:
C17H23ClN2O5S

M.W.:
402.90

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4082136

Name:
(R)-1-(3-(tert-butylsulfonyl)-4-cyano-2-hydroxyphenyl)-3-(2-methylcyclopentShow More⌵

Mol. Formula:
C18H23N3O4S

M.W.:
377.47

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
119.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4081963

Name:
1-(4-chloro-2-hydroxy-3-((tetrahydro-2H-pyran-3-yl)sulfonyl)phenyl)-3-((R)-Show More⌵

Mol. Formula:
C18H23ClN2O5S

M.W.:
414.91

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4079718

Name:
(R)-1-(4-chloro-3-((4-(fluoromethyl)tetrahydro-2H-pyran-4-yl)sulfonyl)-2-hyShow More⌵

Mol. Formula:
C19H24ClFN2O5S

M.W.:
446.93

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4079102

Name:
(R)-1-(4-Chloro-3-((1-fluoro-2-methylpropan-2-yl)-sulfonyl)-2-hydroxyphenylShow More⌵

Mol. Formula:
C17H22ClFN2O4S

M.W.:
404.89

19 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4077201

Name:
(R)-1-(4-chloro-3-((4-ethyltetrahydro-2H-pyran-4-yl)sulfonyl)-2-hydroxyphenShow More⌵

Mol. Formula:
C20H27ClN2O5S

M.W.:
442.97

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4076676

Name:
(R)-1-(4-chloro-3-((1-(2,2-difluoroethyl)piperidin-4-yl)sulfonyl)-2-hydroxyShow More⌵

Mol. Formula:
C20H26ClF2N3O4S

M.W.:
477.96

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
98.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4076478

Name:
1-(4-chloro-2-hydroxy-3-((2-((R)-tetrahydrofuran-3-yl)propan-2-yl)sulfonyl)Show More⌵

Mol. Formula:
C20H27ClN2O5S

M.W.:
442.97

4 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
104.73

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4076428

Name:
1-(4-chloro-2-hydroxy-3-((trans-3-(pyrrolidin-1-yl)cyclobutyl)sulfonyl)phenShow More⌵

Mol. Formula:
C21H28ClN3O4S

M.W.:
453.99