Compounds

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
84.64

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5091960

Name:
(6aS,10aS,11aS)-12-(4-methoxyphenyl)-6,11-dimethyl-2-nitro-6,6a,7,8,9,10,10Show More⌵

Mol. Formula:
C24H27N5O4

M.W.:
449.51

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5090302

Name:
11-(4-methoxyphenyl)-1,4-dimethyl-10-oxo-2,3,4,10,11,11a-hexahydro-1H-benzoShow More⌵

Mol. Formula:
C21H21N5O2

M.W.:
375.43

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
72.17

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5087708

Name:
1-cyclohexyl-11-(4-methoxyphenyl)-4-methyl-8-nitro-1,2,3,4,11,11a-hexahydroShow More⌵

Mol. Formula:
C25H29N5O4

M.W.:
463.54

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5086133

Name:
(R)-11-(3-fluoro-4-methoxyphenyl)-1,4-dimethyl-6-(6-methylpyridin-3-yl)-10-Show More⌵

Mol. Formula:
C27H25FN6O2

M.W.:
484.54

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
85.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5086104

Name:
11-(4-methoxyphenyl)-1,4-dimethyl-8-nitro-1,2,3,4,11,11a-hexahydro-10H-benzShow More⌵

Mol. Formula:
C20H21N5O4

M.W.:
395.42

5 unique targets

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5084707

Name:
11-(3-fluoro-4-methoxyphenyl)-1,4-dimethyl-8-nitro-1,2,3,4,11,11a-hexahydroShow More⌵

Mol. Formula:
C20H20FN5O4

M.W.:
413.41

5 unique targets

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5084039

Name:
11-(3-methoxyphenyl)-1,4-dimethyl-8-nitro-1,2,3,4,11,11a-hexahydro-10H-benzShow More⌵

Mol. Formula:
C20H21N5O4

M.W.:
395.42

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5081936

Name:
(6aR,10aR,11aR)-12-(4-methoxyphenyl)-6,11-dimethyl-2-nitro-6,6a,7,8,9,10,10Show More⌵

Mol. Formula:
C24H27N5O4

M.W.:
449.51

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5081454

Name:
11-(4-fluorophenyl)-1,4-dimethyl-8-nitro-1,2,3,4,11,11a-hexahydro-10H-benzoShow More⌵

Mol. Formula:
C19H18FN5O3

M.W.:
383.38

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
82.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5080706

Name:
(S)-11-(3-fluoro-4-methoxyphenyl)-1,4-dimethyl-6-(6-methylpyridin-3-yl)-10-Show More⌵

Mol. Formula:
C27H25FN6O2

M.W.:
484.54

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
85.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5080705

Name:
6-bromo-11-(3-fluoro-4-methoxyphenyl)-1,4-dimethyl-10-oxo-2,3,4,10,11,11aheShow More⌵

Mol. Formula:
C21H19BrFN5O2

M.W.:
472.32

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
72.17

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5080159

Name:
1,4-dimethyl-8-nitro-11-phenyl-1,2,3,4,11,11a-hexahydro-10H-benzo[e]pyrazinShow More⌵

Mol. Formula:
C19H19N5O3

M.W.:
365.39

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
82.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5079242

Name:
1,4-dibenzyl-11-(4-methoxyphenyl)-8-nitro-1,2,3,4,11,11a-hexahydro-10H-benzShow More⌵

Mol. Formula:
C32H29N5O4

M.W.:
547.62

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5077889

Name:
1-benzyl-11-(4-methoxyphenyl)-4-methyl-8-nitro-1,2,3,4,11,11a-hexahydro-10HShow More⌵

Mol. Formula:
C26H25N5O4

M.W.:
471.52

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
91.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5077885

Name:
1,4-dimethyl-7-nitro-11-phenyl-1,2,3,4,11,11a-hexahydro-10H-benzo[e]pyrazinShow More⌵

Mol. Formula:
C19H19N5O3

M.W.:
365.39

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
82.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5077209

Name:
8-fluoro-1,4-dimethyl-11-phenyl-1,2,3,4,11,11a-hexahydro-10H-benzo[e]pyraziShow More⌵

Mol. Formula:
C19H19FN4O

M.W.:
338.39

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
39.15

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5073057

Name:
rac-11-(3-fluoro-4-methoxyphenyl)-1,4-dimethyl-6-(6-methylpyridin-3-yl)-10-Show More⌵

Mol. Formula:
C27H25FN6O2

M.W.:
484.54

11 activity values

5 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
85.06

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5072900

Name:
1,4-dimethyl-10-oxo-11-phenyl-2,3,4,10,11,11a-hexahydro-1H-benzo[e]pyrazinoShow More⌵

Mol. Formula:
C20H19N5O

M.W.:
345.41