Compounds

ALA4791235

Name:
(2'R,3R)-tert-butyl 2'-(biphenyl-3-yl)-2-oxospiro[indoline-3,3'-pyrrolidineShow More⌵

Mol. Formula:
C28H28N2O3

M.W.:
440.54

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4791199

Name:
(2'S,3S)-tert-butyl 2'-(biphenyl-3-yl)-2-oxospiro[indoline-3,3'-pyrrolidineShow More⌵

Mol. Formula:
C28H28N2O3

M.W.:
440.54

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4781683

Name:
(2'R,3R)-tert-butyl 2'-(4'-(hydroxymethyl)biphenyl-3-yl)-2-oxospiro[indolinShow More⌵

Mol. Formula:
C29H30N2O4

M.W.:
470.57

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4780872

Name:
(2'R,3R)-tert-butyl 2'-(3'-(methylsulfonyl)biphenyl-3-yl)-2-oxospiro[indoliShow More⌵

Mol. Formula:
C29H30N2O5S

M.W.:
518.64

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4777240

Name:
(2'S,3S)-tert-butyl 2'-(4'-(hydroxymethyl)-3'-(methylsulfonyl)biphenyl-3-ylShow More⌵

Mol. Formula:
C30H32N2O6S

M.W.:
548.66

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4764838

Name:
(2'R,3R)-tert-butyl 2'-(4'-(methoxycarbonyl)-3'-(methylsulfonyl)biphenyl-3-Show More⌵

Mol. Formula:
C31H32N2O7S

M.W.:
576.67

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
119.08

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4764539

Name:
(2'R,3R)-tert-butyl 2'-(3'-chloro-4'-(dimethylcarbamoyl)biphenyl-3-yl)-2-oxShow More⌵

Mol. Formula:
C31H32ClN3O4

M.W.:
546.07

7 activity values

5 unique targets

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
78.95

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4764328

Name:
(2'R,3R)-1'-(3,3-dimethylbutanoyl)-2'-(4'-(hydroxymethyl)-3'-(methylsulfonyShow More⌵

Mol. Formula:
C31H34N2O5S

M.W.:
546.69

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
103.78

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4762546

Name:
(2'S,3S)-tert-butyl 2'-(3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)bipShow More⌵

Mol. Formula:
C30H31FN2O6S

M.W.:
566.65

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4762542

Name:
(2'S,3S)-tert-butyl 2'-(4'-(methoxycarbonyl)-3'-(methylsulfonyl)biphenyl-3-Show More⌵

Mol. Formula:
C31H32N2O7S

M.W.:
576.67

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
119.08

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4760781

Name:
rac-tert-Butyl-2'-(3-((4-(hydroxymethyl)-3-(methylsulfonyl)phenyl)amino)pheShow More⌵

Mol. Formula:
C30H33N3O6S

M.W.:
563.68

16 activity values

6 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
125.04

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4759393

Name:
tert-butyl 2'-(biphenyl-3-yl)-2-oxospiro[indoline-3,3'-pyrrolidine]-1'-carbShow More⌵

Mol. Formula:
C28H28N2O3

M.W.:
440.54

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4757761

Name:
(2'R,3R)-tert-butyl 2'-(3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)bipShow More⌵

Mol. Formula:
C30H31FN2O6S

M.W.:
566.65

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4757158

Name:
tert-Butyl-2'-(4'-(methoxycarbonyl)-3'-(methylsulfonyl)-[1,1'-biphenyl]-3-yShow More⌵

Mol. Formula:
C31H32N2O7S

M.W.:
576.67

7 activity values

5 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
119.08

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4756418

Name:
(2'R,3R)-tert-butyl 2'-(4'-(hydroxymethyl)-3'-(methylsulfonyl)biphenyl-3-ylShow More⌵

Mol. Formula:
C30H32N2O6S

M.W.:
548.66

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4755317

Name:
tert-Butyl-2'-(4'-(hydroxymethyl)-3'-(methylsulfonyl)-[1,1'-biphenyl]-3-yl)Show More⌵

Mol. Formula:
C30H32N2O6S

M.W.:
548.66

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4749385

Name:
tert-Butyl-2'-(3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)-[1,1'-bipheShow More⌵

Mol. Formula:
C30H31FN2O6S

M.W.:
566.65

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4748480

Name:
(2'S,3S)-tert-butyl 2'-(3-(4-(hydroxymethyl)-3-(methylsulfonyl)phenylamino)Show More⌵

Mol. Formula:
C30H33N3O6S

M.W.:
563.68

9 activity values

6 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
125.04

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4747448

Name:
1'-(3,3-Dimethyl-butanoyl)-2'-(4'-(hydroxymethyl)-3'-(methylsulfonyl)-[1,1'Show More⌵

Mol. Formula:
C31H34N2O5S

M.W.:
546.69

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
103.78

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4745005

Name:
(2'S,3S)-1'-(3,3-dimethylbutanoyl)-2'-(4'-(hydroxymethyl)-3'-(methylsulfonyShow More⌵

Mol. Formula:
C31H34N2O5S

M.W.:
546.69

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
103.78

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS