Compounds

Type:
Unknown

AlogP:
5.22

Polar Surface Area:
216.83

HBA:
15

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4483348

Name:
(E)-N-(4-(3-(4-Chlorophenyl)acryloyl)phenyl)-6-met
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Mol. Formula:
C28H19ClN2O2S

M.W.:
482.99

6 unique targets

Type:
Unknown

AlogP:
7.56

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4474429

Name:
(E)-6-Methoxy-N-(4-(3-(3-methoxyphenyl)acryloyl)ph
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Mol. Formula:
C29H22N2O4S

M.W.:
494.57

7 activity values

7 unique targets

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4540070

Name:
(E)-N-(4-(3-(3-Methoxyphenyl)acryloyl)phenyl)-6-me
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Mol. Formula:
C29H22N2O3S

M.W.:
478.57

7 activity values

7 unique targets

Type:
Unknown

AlogP:
6.91

Polar Surface Area:
68.29

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4536207

Name:
(E)-N-(5-methyl-1H-pyrazol-3-yl)-4-phenylbut-3-ena
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Mol. Formula:
C14H15N3O

M.W.:
241.29

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4559754

Name:
N-(5-methyl-1H-pyrazol-3-yl)-2-(naphthalen-2-yl)ac
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Mol. Formula:
C16H15N3O

M.W.:
265.32

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4554359

Name:
2,3,5,6-tetrachloro-1,4-Bis(di(5-hydroxy-1H-indol-
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Mol. Formula:
C40H26Cl4N4O4

M.W.:
768.48

39 activity values

11 unique targets

Type:
Unknown

AlogP:
11.41

Polar Surface Area:
144.08

HBA:
4

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4569345

Name:
(E)-N-(4-cinnamoylphenyl)-6-methylthieno[2,3-b]qui
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Mol. Formula:
C28H20N2O2S

M.W.:
448.55

6 unique targets

Type:
Unknown

AlogP:
6.91

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4569344

Name:
4-(4-Acryloylpiperazin-1-yl)-6-chloro-1-(2-isoprop
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Mol. Formula:
C34H31ClN4O3

M.W.:
579.10

5 activity values

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
78.67

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4568408

Name:
(E)-6-Methyl-N-(4-(3-(3,4,5-trimethoxyphenyl)acryl
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Mol. Formula:
C31H26N2O5S

M.W.:
538.63

7 activity values

7 unique targets

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
86.75

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4519023

Name:
N-((R)-1-(3-amino-5-(trifluoromethyl)phenyl)ethyl)
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Mol. Formula:
C23H25F3N4O3

M.W.:
462.47

453 activity values

39 unique targets

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
91.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4546479

Name:
(E)-N-(4-Cinnamoylphenyl)thieno[2,3-b]quinoline-2-
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Mol. Formula:
C27H18N2O2S

M.W.:
434.52

6 unique targets

Type:
Unknown

AlogP:
6.60

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4744979

Name:
N-(3-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoind
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Mol. Formula:
C29H22N4O8

M.W.:
554.52

2 activity values

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
171.96

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4744465

Name:
(S)-4-(4-Acryloyl-2-methylpiperazin-1-yl)-7-(2-flu
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Mol. Formula:
C29H30FN7O3

M.W.:
543.60

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
117.34

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4744397

Name:
(S)-7-(2-Fluoro-6-hydroxyphenyl)-4-(4-(2-fluoroacr
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Mol. Formula:
C30H30F2N6O3

M.W.:
560.61

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
104.45

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4744095

Name:
4-(4-(morpholinomethyl)phenyl)-2,7-bis(3-morpholin
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Mol. Formula:
C45H57N7O7

M.W.:
807.99

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
127.44

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4744008

Name:
6-(4-(Piperidin-1-yl)phenylamino)quinazoline-5,8-d
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Mol. Formula:
C19H18N4O2

M.W.:
334.38

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
75.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4743266

Name:
6-(9H-Fluoren-2-ylamino)quinazoline-5,8-dione

Mol. Formula:
C21H13N3O2

M.W.:
339.35

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
71.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4741971

Name:
N-(2-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoiso
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Mol. Formula:
C30H24N4O9

M.W.:
584.54

2 activity values

Type:
Unknown

AlogP:
1.31

Polar Surface Area:
181.19

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4741718

Name:
N-(2-(4-(2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxo
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Mol. Formula:
C35H33N5O8

M.W.:
651.68

2 activity values