Compounds

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
82.19

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5088651

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(1-((1-(4-(cyclopropylsulfonyl)pheShow More⌵

Mol. Formula:
C36H48F2N4O4S

M.W.:
670.87

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
82.19

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5088354

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidin-3-yl)Show More⌵

Mol. Formula:
C37H51FN4O5S

M.W.:
682.90

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
91.42

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5087485

Name:
methyl(1S,2R)-2-((S)-2-amino-1-(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidShow More⌵

Mol. Formula:
C33H45FN4O4S

M.W.:
612.81

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
104.97

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5086858

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(1-((1-(4-(cyclopropylsulfonyl)pheShow More⌵

Mol. Formula:
C36H49FN4O5S

M.W.:
668.88

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
102.42

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5085940

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(1-((1-(4-(cyclopropylsulfonyl)pheShow More⌵

Mol. Formula:
C37H51FN4O5S

M.W.:
682.90

6 activity values

4 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
91.42

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5085064

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-((1R,4R)-5-acryloyl-2,5-diazabicyclo[2.2.1Show More⌵

Mol. Formula:
C42H57FN6O6S

M.W.:
793.02

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
114.97

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5084863

Name:
methyl 3-((4-((S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-((1R,2S)-2-(methoxShow More⌵

Mol. Formula:
C38H51FN4O6S

M.W.:
710.91

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
108.49

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5083305

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-((R)-1-acryloylpiperidin-3-ylsulfonyl)phenShow More⌵

Mol. Formula:
C42H58FN5O6S

M.W.:
780.02

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
111.73

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5082413

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidin-3-yl)Show More⌵

Mol. Formula:
C39H55FN4O5S

M.W.:
710.96

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
102.42

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5081374

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(1-acryloylpiperidin-4-ylsulfonyl)phenyl)-Show More⌵

Mol. Formula:
C42H58FN5O6S

M.W.:
780.02

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
111.73

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5081367

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(1-((1-(4-(1-((E)-4-(dimethylaminoShow More⌵

Mol. Formula:
C43H61FN6O6S

M.W.:
809.06

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
114.97

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5081163

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-(1-((3-methoxy-Show More⌵

Mol. Formula:
C42H59FN6O6S

M.W.:
795.03

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
114.97

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5079839

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-((S)-1-acryloylpiperidin-3-ylsulfonyl)phenShow More⌵

Mol. Formula:
C42H58FN5O6S

M.W.:
780.02

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
111.73

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5079678

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(1-acryloylazetidin-3-ylsulfonyl)phenyl)-3Show More⌵

Mol. Formula:
C40H54FN5O6S

M.W.:
751.97

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
111.73

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5076146

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidin-3-yl)Show More⌵

Mol. Formula:
C35H49FN4O4S

M.W.:
640.87

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
82.19

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5076001

Name:
methyl(1S,2R)-2-((S)-cyano(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidin-3-Show More⌵

Mol. Formula:
C33H41FN4O4S

M.W.:
608.78

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
102.74

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5075855

Name:
methyl(1S,2R)-2-((S)-2-(azetidin-1-yl)-1-(1-((1-(4-(cyclopropylsulfonyl)pheShow More⌵

Mol. Formula:
C36H49FN4O4S

M.W.:
652.88

6 activity values

4 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
82.19

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5071412

Name:
methyl(1S,2R)-2-((S)-1-(1-((1-(4-(cyclopropylsulfonyl)phenyl)azetidin-3-yl)Show More⌵

Mol. Formula:
C37H51FN4O4S

M.W.:
666.90