Compounds

ALA3276807

Name:
1-(3,4-dimethoxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oximeShow More⌵

Mol. Formula:
C21H32N2O8

M.W.:
440.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
72.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3276806

Name:
1-(3,4-dichlorophenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime Show More⌵

Mol. Formula:
C19H26Cl2N2O6

M.W.:
449.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3276805

Name:
1-(2,4-dimethoxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oximeShow More⌵

Mol. Formula:
C17H29ClN2O4

M.W.:
360.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
72.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3276804

Name:
1-(2,4-dichlorophenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime Show More⌵

Mol. Formula:
C15H23Cl3N2O2

M.W.:
369.72

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3276803

Name:
1-(2-(allyloxy)phenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime Show More⌵

Mol. Formula:
C22H32N2O7

M.W.:
436.51

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
63.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3276802

Name:
1-m-tolylethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime maleate

Mol. Formula:
C20H30N2O6

M.W.:
394.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3276801

Name:
1-(2-chlorophenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime maleShow More⌵

Mol. Formula:
C19H27ClN2O6

M.W.:
414.89

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3276800

Name:
1-(2-methoxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime malShow More⌵

Mol. Formula:
C20H30N2O7

M.W.:
410.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
63.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3276799

Name:
1-(2-hydroxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime malShow More⌵

Mol. Formula:
C19H28N2O7

M.W.:
396.44

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
74.08

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3276798

Name:
1-o-tolylethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime maleate

Mol. Formula:
C20H30N2O6

M.W.:
394.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3276797

Name:
4-(1-(3-(tert-butylamino)-2-hydroxypropoxyimino)ethyl)-N,N-dimethylbenzenesShow More⌵

Mol. Formula:
C17H30ClN3O4S

M.W.:
407.96

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
91.23

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3276796

Name:
1-(4-(methylamino)phenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxiShow More⌵

Mol. Formula:
C20H33N3O8

M.W.:
443.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
65.88

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3276795

Name:
1-(4-isopropoxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime

Mol. Formula:
C22H34N2O7

M.W.:
438.52

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
63.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3276794

Name:
1-(4-hydroxyphenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime nitShow More⌵

Mol. Formula:
C15H25N3O6

M.W.:
343.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
74.08

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3276793

Name:
N-(4-(1-(3-(tert-butylamino)-2-hydroxypropoxyimino)ethyl)phenyl)acetamide mShow More⌵

Mol. Formula:
C21H31N3O7

M.W.:
437.49

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
82.95

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3276792

Name:
1-(biphenyl-4-yl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime hydroShow More⌵

Mol. Formula:
C21H29ClN2O2

M.W.:
376.93

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3276791

Name:
1-(4-(methylthio)phenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oximShow More⌵

Mol. Formula:
C16H27ClN2O2S

M.W.:
346.92

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
53.85

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3276790

Name:
1-(4-fluorophenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl oxime hydrShow More⌵

Mol. Formula:
C15H24ClFN2O2

M.W.:
318.82

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3276789

Name:
1-(4-(methylsulfonyl)phenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl Show More⌵

Mol. Formula:
C16H27ClN2O4S

M.W.:
378.92

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
87.99

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3276788

Name:
1-(4-(methylsulfinyl)phenyl)ethanone O-3-(tert-butylamino)-2-hydroxypropyl Show More⌵

Mol. Formula:
C16H27ClN2O3S

M.W.:
362.92

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
76.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS