Compounds

ALA5188533

Name:
[(1R)-2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanaShow More⌵

Mol. Formula:
C24H27BN4O4

M.W.:
446.32

7 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

M3258

Name:
[(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]fShow More⌵

Mol. Formula:
C17H20BNO5

M.W.:
329.16

38 activity values

14 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5171825

Name:
Lxazomib citrate

Mol. Formula:
C20H27BCl2N2O11

M.W.:
553.16

6 activity values

6 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4879354

Name:
(12S,4S)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-2,15Show More⌵

Mol. Formula:
C31H45N3O6

M.W.:
555.72

7 activity values

3 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4879280

Name:
(12S,4S)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-2,14Show More⌵

Mol. Formula:
C30H43N3O6

M.W.:
541.69

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4877277

Name:
(12S,4S)-N-((S)-1-((R)-2-Methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2,15Show More⌵

Mol. Formula:
C34H43N3O6

M.W.:
589.73

26 activity values

7 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4875393

Name:
(12S,4S)-N-((S)-3-Cyclohexyl-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-Show More⌵

Mol. Formula:
C34H49N3O6

M.W.:
595.78

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870740

Name:
(3S,19aS)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,1Show More⌵

Mol. Formula:
C26H42N4O7

M.W.:
522.64

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.45

Polar Surface Area:
146.44

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4869559

Name:
(3S,15aS)-14,14-Difluoro-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopShow More⌵

Mol. Formula:
C23H35F2N3O6

M.W.:
487.54

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.19

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4867231

Name:
(3S,15aS)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,1Show More⌵

Mol. Formula:
C23H37N3O6

M.W.:
451.56

7 activity values

3 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4867229

Name:
(3S,18aS)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,1Show More⌵

Mol. Formula:
C25H40N4O7

M.W.:
508.62

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.06

Polar Surface Area:
146.44

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4866610

Name:
(10S,13S)-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-2,1Show More⌵

Mol. Formula:
C22H35N3O6

M.W.:
437.54

4 activity values

3 unique targets

Type:
Unknown

AlogP:
0.55

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4864020

Name:
(3S,15aS)-N-((S)-1-((R)-2-Methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-1,1Show More⌵

Mol. Formula:
C26H35N3O6

M.W.:
485.58

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4863666

Name:
(12S,4S)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-2,16Show More⌵

Mol. Formula:
C32H47N3O6

M.W.:
569.74

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4863407

Name:
(3S,15aS)-N-((S)-3-Cyclohexyl-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)Show More⌵

Mol. Formula:
C26H41N3O6

M.W.:
491.63

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4863075

Name:
(3S,16aS)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,1Show More⌵

Mol. Formula:
C24H39N3O6

M.W.:
465.59

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4859824

Name:
(3S,17aS)-N-((S)-4-Methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,1Show More⌵

Mol. Formula:
C25H41N3O6

M.W.:
479.62

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4855585

Name:
(3S,14S,15aS)-14-Fluoro-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopeShow More⌵

Mol. Formula:
C23H36FN3O6

M.W.:
469.55

4 activity values

3 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4854647

Name:
(3S,15aS)-15a-Methyl-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentaShow More⌵

Mol. Formula:
C24H39N3O6

M.W.:
465.59

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4849360

Name:
(3S)-N-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-1,11-dioShow More⌵

Mol. Formula:
C24H39N3O6

M.W.:
465.59

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
117.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS