Compounds

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
121.61

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA590780

Name:
(S,E)-N-(1-(2-(4-Hydroxybenzylidene)hydrazinyl)-3-(1Himidazol-4-yl)-1-oxoprShow More⌵

Mol. Formula:
C21H21N5O4

M.W.:
407.43

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
128.70

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA606807

Name:
(S,E)-N-(1-(2-(4-Chlorobenzylidene)hydrazinyl)-3-(1Himidazol-4-yl)-1-oxoproShow More⌵

Mol. Formula:
C21H20ClN5O3

M.W.:
425.88

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
108.47

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA592442

Name:
(S,E)-N-(3-(1H-Imidazol-4-yl)-1-(2-(4-nitrobenzylidene)hydrazinyl)-1-oxoproShow More⌵

Mol. Formula:
C21H20N6O5

M.W.:
436.43

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
151.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA602748

Name:
(S,E)-N-(3-(1H-Imidazol-4-yl)-1-(2-(4-methylbenzylidene)hydrazinyl)-1-oxoprShow More⌵

Mol. Formula:
C22H23N5O3

M.W.:
405.46

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
108.47

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA610447

Name:
(S,E)-N-(3-(1H-Imidazol-4-yl)-1-(2-(4-methoxybenzylidene)hydrazinyl)-1-oxopShow More⌵

Mol. Formula:
C22H23N5O4

M.W.:
421.46

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
117.70

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA592890

Name:
(S,E)-N-(1-(2-Benzylidenehydrazinyl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)Show More⌵

Mol. Formula:
C21H21N5O3

M.W.:
391.43

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
108.47

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA592889

Name:
(S,E)-N-(1-(2-(Furan-2-ylmethylene)hydrazinyl)-3-(4-hydroxyphenyl)-1-oxoproShow More⌵

Mol. Formula:
C22H21N3O5

M.W.:
407.43

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
113.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA590030

Name:
(S,E)-N-(1-(2-(4-Hydroxybenzylidene)hydrazinyl)-3-(4-hydroxyphenyl)-1-oxoprShow More⌵

Mol. Formula:
C24H23N3O5

M.W.:
433.46

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
120.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA590029

Name:
(S,E)-N-(1-(2-(4-Chlorobenzylidene)hydrazinyl)-3-(4-hydroxyphenyl)-1-oxoproShow More⌵

Mol. Formula:
C24H22ClN3O4

M.W.:
451.91

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA591003

Name:
(S,E)-N-(3-(4-Hydroxyphenyl)-1-(2-(4-methylbenzylidene)hydrazinyl)-1-oxoproShow More⌵

Mol. Formula:
C25H25N3O4

M.W.:
431.49

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA602332

Name:
(S,E)-N-(1-(2-Benzylidenehydrazinyl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-Show More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA590535

Name:
N-((2S,3R)-3-Hydroxy-1-((E)-2-(4-hydroxybenzylidene)-hydrazinyl)-1-oxobutanShow More⌵

Mol. Formula:
C19H21N3O5

M.W.:
371.39

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
120.25

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA591962

Name:
N-((2S,3R)-1-((E)-2-(4-Chlorobenzylidene)hydrazinyl)-3-hydroxy-1-oxobutan-2Show More⌵

Mol. Formula:
C19H20ClN3O4

M.W.:
389.84

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA603610

Name:
N-((2S,3S)-3-hydroxy-1-((E)-2-(4-methylbenzylidene)hydrazinyl)-1-oxobutan-2Show More⌵

Mol. Formula:
C20H23N3O4

M.W.:
369.42

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA591961

Name:
N-((2S,3R)-1-((E)-2-(furan-2-ylmethylene)hydrazinyl)-3-methyl-1-oxopentan-2Show More⌵

Mol. Formula:
C19H23N3O4

M.W.:
357.41

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
92.93

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA591960

Name:
N-((2S,3R)-1-((E)-2-(4-hydroxybenzylidene)hydrazinyl)-3-methyl-1-oxopentan-Show More⌵

Mol. Formula:
C21H25N3O4

M.W.:
383.45

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA589330

Name:
N-((2S,3SR)-1-((E)-2-(4-Chlorobenzylidene)hydrazinyl)-3-methyl-1-oxopentan-Show More⌵

Mol. Formula:
C21H24ClN3O3

M.W.:
401.89

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA605614

Name:
4-Methoxy-N-((2S,3R)-3-methyl-1-((E)-2-(4-methylbenzylidene)hydrazinyl)-1-oShow More⌵

Mol. Formula:
C22H27N3O3

M.W.:
381.48