Compounds

Type:
---

AlogP:
4.60

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5199090

Name:
1-(4-((bromodichloromethyl)sulfonyl)-2-nitrophenyl)-4-methylpiperazine

Mol. Formula:
C12H14BrCl2N3O4S

M.W.:
447.14

Type:
---

AlogP:
2.60

Polar Surface Area:
83.76

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5194331

Name:
N-cyclohexyl-2-nitroaniline

Mol. Formula:
C12H16N2O2

M.W.:
220.27

Type:
---

AlogP:
3.34

Polar Surface Area:
55.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5186592

Name:
4-((bromodichloromethyl)sulfonyl)-N-cyclopentyl-2-nitroaniline

Mol. Formula:
C12H13BrCl2N2O4S

M.W.:
432.12

Type:
---

AlogP:
4.21

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5184821

Name:
4-((bromodichloromethyl)sulfonyl)-N-cyclohexylaniline

Mol. Formula:
C13H16BrCl2NO2S

M.W.:
401.15

Type:
---

AlogP:
4.69

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5184443

Name:
4-((bromodichloromethyl)sulfonyl)-N-(furan-2-ylmethyl)-2-nitroaniline

Mol. Formula:
C12H9BrCl2N2O5S

M.W.:
444.09

Type:
---

AlogP:
4.06

Polar Surface Area:
102.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5184350

Name:
N-cyclohexyl-4-(methylsulfonyl)-2-nitroaniline

Mol. Formula:
C13H18N2O4S

M.W.:
298.36

Type:
---

AlogP:
2.74

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5183064

Name:
4-((bromodichloromethyl)sulfonyl)-2-nitro-N-(4-phenylbutyl)aniline

Mol. Formula:
C17H17BrCl2N2O4S

M.W.:
496.21

6 activity values

4 unique targets

Type:
---

AlogP:
5.29

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5182658

Name:
N-cyclohexyl-2-nitro-4-((trichloromethyl)sulfonyl)aniline

Mol. Formula:
C13H15Cl3N2O4S

M.W.:
401.70

Type:
---

AlogP:
4.44

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5178944

Name:
N-cyclohexyl-2-nitro-4-((trifluoromethyl)sulfonyl)aniline

Mol. Formula:
C13H15F3N2O4S

M.W.:
352.33

Type:
---

AlogP:
3.63

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5178104

Name:
4-((bromodichloromethyl)sulfonyl)-N-cyclohexyl-2-nitroaniline

Mol. Formula:
C13H15BrCl2N2O4S

M.W.:
446.15

7 activity values

4 unique targets

Type:
---

AlogP:
4.60

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5175351

Name:
N-cyclohexyl-4-((dichloromethyl)sulfonyl)-2-nitroaniline

Mol. Formula:
C13H16Cl2N2O4S

M.W.:
367.25

Type:
---

AlogP:
3.87

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5170849

Name:
N-cyclohexyl-4-(ethylsulfonyl)-2-nitroaniline

Mol. Formula:
C14H20N2O4S

M.W.:
312.39

Type:
---

AlogP:
3.13

Polar Surface Area:
89.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4091817

Name:
1-(1-([1,1'-Biphenyl]-3-yl)-1H-indol-3-yl)-N-(cyclohexylmethyl)methanamine

Mol. Formula:
C28H30N2

M.W.:
394.56

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4091128

Name:
1-Cyclohexyl-N-((6-fluoro-1-(2-(3-methoxyphenyl)-pyridin-4-yl)-1H-indol-3-yShow More⌵

Mol. Formula:
C28H30FN3O

M.W.:
443.57

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4087727

Name:
1-Cyclohexyl-N-((1-(3'-methoxybiphenyl-3-yl)-1H-indol-3-yl)methyl)methanamiShow More⌵

Mol. Formula:
C29H32N2O

M.W.:
424.59

Type:
Small molecule

AlogP:
6.98

Polar Surface Area:
26.19

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4083340

Name:
(R)-N-(1-(4-Chlorobenzyl)pyrrolidin-3-yl)-2-(3-methoxyphenyl)-N-methylquinoShow More⌵

Mol. Formula:
C29H28ClN3O2

M.W.:
486.02

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
45.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4070968

Name:
(4-Benzylpiperazin-1-yl)(2-(3-methoxyphenyl)-quinolin-4-yl)methanone

Mol. Formula:
C28H27N3O2

M.W.:
437.54

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
45.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4065531

Name:
1-Cyclohexyl-N-((1-(2-(3-methoxyphenyl)pyridin-4-yl)-1H-indol-3-yl)methyl)mShow More⌵

Mol. Formula:
C28H31N3O

M.W.:
425.58

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
39.08

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4061509

Name:
(4-(4-Cchlorobenzyl)piperazin-1-yl)(2-(3-methoxyphenyl)pyridin-4-yl)methanoShow More⌵

Mol. Formula:
C24H24ClN3O2

M.W.:
421.93