Compounds

Type:
Unknown

AlogP:
-0.10

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4878231

Name:
(S)-4-amino-N-(1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl)-1-(7H-pyrrolo[2,Show More⌵

Mol. Formula:
C18H28ClN7O3

M.W.:
425.92

Type:
Unknown

AlogP:
0.29

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4875638

Name:
(S)-4-amino-N-(1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl)-1-(7H-pyrrolo[2,Show More⌵

Mol. Formula:
C21H26ClN7O3

M.W.:
459.94

Type:
Unknown

AlogP:
0.49

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4875183

Name:
(S)-4-amino-N-(2-(hydroxyamino)-2-oxo-1-phenylethyl)-1-(7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C20H24ClN7O3

M.W.:
445.91

Type:
Unknown

AlogP:
0.62

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4873890

Name:
(S)-4-amino-N-(1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-(7H-pShow More⌵

Mol. Formula:
C23H27ClN8O3

M.W.:
498.98

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
165.05

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4872931

Name:
(R)-N-(1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl)-4-(7H-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C20H23N7O3

M.W.:
409.45

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
126.48

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4870948

Name:
(R)-2-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)ureido)-N-hydroShow More⌵

Mol. Formula:
C21H25N7O3

M.W.:
423.48

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
135.27

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4867186

Name:
(R)-4-amino-N-(2-(hydroxyamino)-2-oxo-1-phenylethyl)-1-(7H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C20H24ClN7O3

M.W.:
445.91

11 activity values

9 unique targets

Type:
Unknown

AlogP:
0.62

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4866789

Name:
(R)-4-amino-N-(1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-1-(7H-pyrrolo[2,3Show More⌵

Mol. Formula:
C17H26ClN7O3

M.W.:
411.89

Type:
Unknown

AlogP:
-0.10

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4864103

Name:
(R)-N-(2-(hydroxyamino)-2-oxo-1-phenylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-Show More⌵

Mol. Formula:
C20H22N6O3

M.W.:
394.44

Type:
Unknown

AlogP:
1.54

Polar Surface Area:
123.24

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4861303

Name:
(R)-2-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)ureido)-N-hydroShow More⌵

Mol. Formula:
C20H23N7O3

M.W.:
409.45

Type:
Unknown

AlogP:
1.47

Polar Surface Area:
135.27

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4858787

Name:
(R)-4-amino-N-(1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-(7H-pShow More⌵

Mol. Formula:
C23H27ClN8O3

M.W.:
498.98

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
165.05

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4858775

Name:
(R)-N-(2-(hydroxyamino)-2-oxo-1-phenylethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-Show More⌵

Mol. Formula:
C19H21N7O3

M.W.:
395.42

Type:
Unknown

AlogP:
1.04

Polar Surface Area:
126.48

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4857333

Name:
(R)-N-(1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl)-4-(7H-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C17H25N7O3

M.W.:
375.43

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
126.48

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4855668

Name:
(R)-4-amino-N-(1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl)-1-(7H-pyrrolo[2,Show More⌵

Mol. Formula:
C21H26ClN7O3

M.W.:
459.94

Type:
Unknown

AlogP:
0.49

Polar Surface Area:
149.26

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4854059

Name:
(R)-2-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)ureido)-N-hydroShow More⌵

Mol. Formula:
C18H27N7O3

M.W.:
389.46

Type:
Unknown

AlogP:
1.15

Polar Surface Area:
135.27

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4851365

Name:
(R)-N-(1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl)-1-(7H-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C18H26N6O3

M.W.:
374.45

4 activity values

Type:
Unknown

AlogP:
1.21

Polar Surface Area:
123.24

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4849351

Name:
(R)-N-(1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl)-1-(7H-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C21H24N6O3

M.W.:
408.46

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
123.24

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4591253

Name:
(S)-2-(3-((1-(2-Bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)ureido)-N-hydroxyShow More⌵

Mol. Formula:
C16H21BrN6O3

M.W.:
425.29