Compounds

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
38.69

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4567281

Name:
Knipholone-6'-methyl ether

Mol. Formula:
C25H22O8

M.W.:
450.44

Type:
Unknown

AlogP:
3.86

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4744186

Name:
N-(2-bromophenyl)-1-(4-methoxyphenyl)-1H-tetrazol-
Show More⌵

Mol. Formula:
C14H12BrN5O

M.W.:
346.19

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4742981

Name:
1-(4-chlorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12ClN5O

M.W.:
301.74

29 activity values

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4762598

Name:
1-(2-bromophenyl)-N-(4-methoxyphenyl)-1H-tetrazol-
Show More⌵

Mol. Formula:
C14H12BrN5O

M.W.:
346.19

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4760695

Name:
N-(4-fluorophenyl)-1-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12FN5O

M.W.:
285.28

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4760497

Name:
1-(2-fluorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12FN5O

M.W.:
285.28

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4777509

Name:
1-(3-bromophenyl)-N-(4-methoxyphenyl)-1H-tetrazol-
Show More⌵

Mol. Formula:
C14H12BrN5O

M.W.:
346.19

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4751750

Name:
N-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12ClN5O

M.W.:
301.74

28 activity values

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4751656

Name:
N-(3-chlorophenyl)-1-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12ClN5O

M.W.:
301.74

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4794796

Name:
1-(3-fluorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12FN5O

M.W.:
285.28

25 activity values

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4793209

Name:
1-(2-chlorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12ClN5O

M.W.:
301.74

28 activity values

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4791836

Name:
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12FN5O

M.W.:
285.28

28 activity values

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4790859

Name:
1-(4-bromophenyl)-N-(4-methoxyphenyl)-1H-tetrazol-
Show More⌵

Mol. Formula:
C14H12BrN5O

M.W.:
346.19

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4789203

Name:
N-(4-bromophenyl)-1-(4-methoxyphenyl)-1H-tetrazoI-
Show More⌵

Mol. Formula:
C14H12BrN5O

M.W.:
346.19

83 activity values

18 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4473589

Name:
Bulbine-knipholone

Mol. Formula:
C24H20O8

M.W.:
436.42

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
141.36

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4545452

Name:
Bulbnatalone; 10-(3-acetyl-2-hydroxy-4,6-dimethoxy
Show More⌵

Mol. Formula:
C25H20O8

M.W.:
448.43

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4565236

Name:
Knipholone

Mol. Formula:
C24H20O8

M.W.:
436.42

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
141.36

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4747525

Name:
N-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12FN5O

M.W.:
285.28

29 activity values

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
64.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4746379

Name:
1-(3-chlorophenyl)-N-(4-methoxyphenyl)-1H-tetrazol
Show More⌵

Mol. Formula:
C14H12ClN5O

M.W.:
301.74

29 activity values