Compounds

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
81.08

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4552495

Name:
(3alpha,16alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfoShow More⌵

Mol. Formula:
C33H46F4N2O4S

M.W.:
642.80

8 activity values

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4551755

Name:
3-[2-(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazin-1Show More⌵

Mol. Formula:
C33H40F4N2O3S

M.W.:
620.75

4 activity values

Type:
Unknown

AlogP:
6.92

Polar Surface Area:
57.69

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4539167

Name:
(3alpha,5alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonShow More⌵

Mol. Formula:
C35H51F3N2O4S

M.W.:
652.86

8 activity values

Type:
Unknown

AlogP:
6.77

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4526904

Name:
(3R,10S,13S,17S)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfoShow More⌵

Mol. Formula:
C34H49F3N2O4S

M.W.:
638.84

Type:
Unknown

AlogP:
6.33

Polar Surface Area:
73.38

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4518459

Name:
(3alpha,16alpha,17beta)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyShow More⌵

Mol. Formula:
C33H49F3N2O5S

M.W.:
642.83

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
101.31

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4515514

Name:
2-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)-phenyl]sulfonyl}piperazin-1-Show More⌵

Mol. Formula:
C32H39F3N2O4S

M.W.:
604.74

15 activity values

6 unique targets

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4468509

Name:
3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)-phenyl]sulfonyl}piperazin-1-Show More⌵

Mol. Formula:
C32H37F3N2O4S

M.W.:
602.72

15 activity values

5 unique targets

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
74.76

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4468460

Name:
(3alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}pipeShow More⌵

Mol. Formula:
C32H45F3N2O4S

M.W.:
610.78

8 activity values

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4462874

Name:
(3alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}pipeShow More⌵

Mol. Formula:
C34H51F3N2O4S

M.W.:
640.85

3 activity values

Type:
Unknown

AlogP:
6.58

Polar Surface Area:
70.08

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4452056

Name:
(3alpha,16alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfoShow More⌵

Mol. Formula:
C33H47F3N2O5S

M.W.:
640.81

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
98.15

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4451878

Name:
3-[(1R)-2-(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperaShow More⌵

Mol. Formula:
C33H41F3N2O4S

M.W.:
618.76

21 activity values

5 unique targets

Type:
Unknown

AlogP:
5.95

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4451648

Name:
(3alpha,17beta)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonShow More⌵

Mol. Formula:
C33H49F3N2O4S

M.W.:
626.83

7 activity values

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
81.08

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4445467

Name:
3-[2-(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazin-1Show More⌵

Mol. Formula:
C33H41F3N2O3S

M.W.:
602.76

16 activity values

6 unique targets

Type:
Unknown

AlogP:
6.46

Polar Surface Area:
57.69

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4442069

Name:
(3alpha,16alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfoShow More⌵

Mol. Formula:
C33H48F4N2O4S

M.W.:
644.82

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
81.08

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4436292

Name:
(3alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}pipeShow More⌵

Mol. Formula:
C33H48F3N3O4S

M.W.:
639.83

14 activity values

4 unique targets

Type:
Unknown

AlogP:
6.39

Polar Surface Area:
93.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4105253

Name:
(3alpha,5alpha,13alpha)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyShow More⌵

Mol. Formula:
C33H47F3N2O4S

M.W.:
624.81

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4086229

Name:
(3R,5S,8R,9S,10S,13R,14S)-3-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopeShow More⌵

Mol. Formula:
C19H30O2

M.W.:
290.45

1 activity values

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4076831

Name:
(3beta,5beta)-3-[(trans-2,5-Dimethyl-4-{[2-(trifluoromethyl)phenyl]-sulfonyShow More⌵

Mol. Formula:
C33H47F3N2O4S

M.W.:
624.81

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4070097

Name:
(trans-2,5)-1,2,5-trimethyl-1-{[2-(trifluoromethyl)phenyl]sulfonyl}piperaziShow More⌵

Mol. Formula:
C14H19F3N2O2S

M.W.:
336.38

1 activity values