Compounds

ALA2270126

Name:
1-nitro-2-(m-tolyloxy)benzene

Mol. Formula:
C13H11NO3

M.W.:
229.24

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2270125

Name:
2-(4-tert-butylphenoxy)benzonitrile

Mol. Formula:
C17H17NO

M.W.:
251.33

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
33.02

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2270124

Name:
1-(4-tert-butylphenoxy)-2-nitrobenzene

Mol. Formula:
C16H17NO3

M.W.:
271.32

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

2-Nitrophenyl phenyl ether

Name:
1-nitro-2-phenoxybenzene

Mol. Formula:
C12H9NO3

M.W.:
215.21

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2270122

Name:
1-(4-chlorophenoxy)-2-nitrobenzene

Mol. Formula:
C12H8ClNO3

M.W.:
249.65

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2270121

Name:
2,4'-oxybis(nitrobenzene)

Mol. Formula:
C12H8N2O5

M.W.:
260.20

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
95.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2270120

Name:
2-(4-chlorophenoxy)benzonitrile

Mol. Formula:
C13H8ClNO

M.W.:
229.67

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
33.02

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2270119

Name:
1-tert-butyl-4-(4-nitrophenoxy)benzene

Mol. Formula:
C16H17NO3

M.W.:
271.32

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2270118

Name:
1-methyl-3-(4-nitrophenoxy)benzene

Mol. Formula:
C13H11NO3

M.W.:
229.24

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

4,4'-Dinitrodiphenyl Ether

Name:
4,4'-oxybis(nitrobenzene)

Mol. Formula:
C12H8N2O5

M.W.:
260.20

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
95.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2270116

Name:
1-chloro-4-(4-nitrophenoxy)benzene

Mol. Formula:
C12H8ClNO3

M.W.:
249.65

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2270115

Name:
1-chloro-2-(4-nitrophenoxy)benzene

Mol. Formula:
C12H8ClNO3

M.W.:
249.65

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

4-Nitrodiphenyl Ether

Name:
1-nitro-4-phenoxybenzene

Mol. Formula:
C12H9NO3

M.W.:
215.21

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
52.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS