Compounds

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
125.48

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4588330

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-7'-(3-(3,3-difluoro-1-azetidinyl)propoxyShow More⌵

Mol. Formula:
C41H54ClF2N5O7S

M.W.:
834.43

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
131.96

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4580244

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-N-(dimethylsulfamoyl)-7'-(2-(1,1-dioxidoShow More⌵

Mol. Formula:
C41H56ClN5O9S2

M.W.:
862.51

8 activity values

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
166.10

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4577379

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-Chloro-15'-hydroxy-7'-methoxy-12'-methyl-13'-oxShow More⌵

Mol. Formula:
C34H41ClN2O6

M.W.:
609.16

12 activity values

4 unique targets

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
99.54

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4561691

Name:
(1S,6'E,12'R)-6-chloro-12'-hydroxy-9'-methyl-10'-oxo-3,4-dihydro-2H-spiro[nShow More⌵

Mol. Formula:
C30H35ClN2O5

M.W.:
539.07

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
90.31

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4553660

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-meShow More⌵

Mol. Formula:
C41H56ClN5O8S

M.W.:
814.45

8 activity values

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
141.19

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4547370

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-7'-(2-(2,2-difluoroethoxy)ethoxy)-N-(dimShow More⌵

Mol. Formula:
C39H51ClF2N4O8S

M.W.:
809.37

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
137.95

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4543603

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-15'-hydroxy-15'-(hydroxymethyl)-7'-methoShow More⌵

Mol. Formula:
C34H43ClN2O5

M.W.:
595.18

2 activity values

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
82.47

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4542646

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-Chloro-7',15'-dihydroxy-12'-methyl-13'-oxo-3,4-Show More⌵

Mol. Formula:
C33H39ClN2O6

M.W.:
595.14

12 activity values

4 unique targets

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
110.54

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4539543

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-7'-(2-Show More⌵

Mol. Formula:
C41H56ClN5O8S

M.W.:
814.45

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
141.19

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4535151

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-7'-(2-(dimethylamino)-2-oxoethoxy)-N-(diShow More⌵

Mol. Formula:
C39H52ClN5O8S

M.W.:
786.39

7 activity values

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
149.03

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4528051

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-Chloro-N-(dimethylsulfamoyl)-15'-hydroxy-7'-metShow More⌵

Mol. Formula:
C36H47ClN4O7S

M.W.:
715.31

9 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
128.72

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4469850

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-7'-hydroxy-15'-methoxy-12'-methyl-13'-oxShow More⌵

Mol. Formula:
C34H41ClN2O6

M.W.:
609.16

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
99.54

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4452794

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-7'-(2-(4,4-difluoro-1-piperidinyl)ethoxyShow More⌵

Mol. Formula:
C42H56ClF2N5O7S

M.W.:
848.45

5 activity values

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
131.96

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4452403

Name:
(1S,3'R,6'R,7'S,8'E,14'R)-6-chloro-7',14'-dihydroxy-11'-methyl-12'-oxo-3,4-Show More⌵

Mol. Formula:
C32H37ClN2O6

M.W.:
581.11

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
110.54

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4446369

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-Chloro-7'-(2-(3,3-difluoro-1-azetidinyl)ethoxy)Show More⌵

Mol. Formula:
C40H52ClF2N5O7S

M.W.:
820.40

48 activity values

6 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
131.96

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4438074

Name:
(1S,3'R,6'R,7'S,8'E,15'R)-6-chloro-N-(dimethylsulfamoyl)-7'-(2-(3-fluoro-1-Show More⌵

Mol. Formula:
C40H53ClFN5O7S

M.W.:
802.41

7 activity values

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
131.96

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4437832

Name:
(1S,3'R,6'R,7'S,8'E,16'R)-6-chloro-7',16'-dihydroxy-13'-methyl-14'-oxo-3,4-Show More⌵

Mol. Formula:
C34H41ClN2O6

M.W.:
609.16