Compounds

ALA5196115

Name:
(S)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C21H25FN2O

M.W.:
340.44

8 activity values

1 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5196090

Name:
(R)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C20H23FN2O

M.W.:
326.42

8 activity values

1 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5207591

Name:
(S)-cyclopropyl((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C22H25FN2O

M.W.:
352.45

8 activity values

1 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5200995

Name:
(R)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C21H25FN2O

M.W.:
340.44

8 activity values

1 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5199091

Name:
((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]inShow More⌵

Mol. Formula:
C19H21FN2O

M.W.:
312.39

8 activity values

1 unique targets

Type:
---

AlogP:
3.75

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5197908

Name:
(R)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C22H27FN2O

M.W.:
354.47

8 activity values

1 unique targets

Type:
---

AlogP:
4.77

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5194382

Name:
(R)-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[Show More⌵

Mol. Formula:
C25H20F6N2O

M.W.:
478.44

8 activity values

1 unique targets

Type:
---

AlogP:
6.19

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5191812

Name:
(S)-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[Show More⌵

Mol. Formula:
C25H25FN2O

M.W.:
388.49

8 activity values

1 unique targets

Type:
---

AlogP:
5.49

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5186941

Name:
(R)-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[Show More⌵

Mol. Formula:
C29H27FN2O

M.W.:
438.55

8 activity values

1 unique targets

Type:
---

AlogP:
6.64

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5185246

Name:
(S)-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[Show More⌵

Mol. Formula:
C29H27FN2O

M.W.:
438.55

8 activity values

1 unique targets

Type:
---

AlogP:
6.64

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5183169

Name:
(S)-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[Show More⌵

Mol. Formula:
C25H20F6N2O

M.W.:
478.44

8 activity values

1 unique targets

Type:
---

AlogP:
6.19

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5181366

Name:
(S)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C22H27FN2O

M.W.:
354.47

8 activity values

1 unique targets

Type:
---

AlogP:
4.77

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5173367

Name:
(R)-cyclopropyl((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C22H25FN2O

M.W.:
352.45

8 activity values

1 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5171084

Name:
(S)-cyclopentyl((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C24H29FN2O

M.W.:
380.51

8 activity values

1 unique targets

Type:
---

AlogP:
5.31

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4877227

Name:
(S)-1-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazShow More⌵

Mol. Formula:
C21H26N2O

M.W.:
322.45

8 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4876447

Name:
(S)-1-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benShow More⌵

Mol. Formula:
C27H30N2O2

M.W.:
414.55

8 activity values

1 unique targets

Type:
Unknown

AlogP:
5.53

Polar Surface Area:
47.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4875267

Name:
(R)-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazolShow More⌵

Mol. Formula:
C24H26N2OS

M.W.:
390.55

8 activity values

1 unique targets

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
38.05

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4872787

Name:
(S)-1-((4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzShow More⌵

Mol. Formula:
C24H25FN2OS

M.W.:
408.54

8 activity values

1 unique targets

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
38.05

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4872009

Name:
(S)-1-((4aR,5S)-4a-methyl-1-p-tolyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazShow More⌵

Mol. Formula:
C25H28N2OS

M.W.:
404.58

8 activity values

1 unique targets

Type:
Unknown

AlogP:
5.90

Polar Surface Area:
38.05

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4871994

Name:
(S)-1-((4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benShow More⌵

Mol. Formula:
C25H28N2O2S

M.W.:
420.58

8 activity values

1 unique targets

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
47.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS