Compounds

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
172.55

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4547897

Name:
Cyclo[N-methyloxy-2-[(3,4,5-trimethyloxy)phenylmet
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Mol. Formula:
C18H22N2O6

M.W.:
362.38

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
77.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5188502

Name:
(S)-N-(Thiophen-2-ylmethyl)-1-(3,5-dichlorobenzoyl
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Mol. Formula:
C26H22Cl2N4O2S

M.W.:
525.46

9 activity values

8 unique targets

Type:
---

AlogP:
5.25

Polar Surface Area:
65.54

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5174111

Name:
(S)-N-(Thiophen-2-ylmethyl)-1-(3,4-dichlorobenzoyl
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Mol. Formula:
C22H20Cl2N4O2S

M.W.:
475.40

30 activity values

11 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
65.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4751195

Name:
(4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amin
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Mol. Formula:
C36H45N7O12

M.W.:
767.79

1 activity values

Type:
Unknown

AlogP:
0.97

Polar Surface Area:
286.67

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4782926

Name:
(4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amin
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Mol. Formula:
C21H30N4O12

M.W.:
530.49

1 activity values

Type:
Unknown

AlogP:
-2.82

Polar Surface Area:
262.44

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3805679

Name:
(Z)-2-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-
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Mol. Formula:
C25H24N4O5

M.W.:
460.49

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
102.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3805555

Name:
(Z)-6-(3,4-dimethoxyphenyl)-2-methyl-N'-(1-methyl-
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Mol. Formula:
C24H22N4O4

M.W.:
430.46

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
93.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3805045

Name:
(Z)-6-(2-methoxyphenyl)-2-methyl-N'-(1-methyl-2-ox
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Mol. Formula:
C23H20N4O3

M.W.:
400.44

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
83.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3805517

Name:
(Z)-6-(3-methoxyphenyl)-2-methyl-N'-(1-methyl-2-ox
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Mol. Formula:
C23H20N4O3

M.W.:
400.44

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
83.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3805972

Name:
(Z)-6-(4-methoxyphenyl)-2-methyl-N'-(1-methyl-2-ox
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Mol. Formula:
C23H20N4O3

M.W.:
400.44

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
83.89

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3805833

Name:
(Z)-2-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-
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Mol. Formula:
C23H20N4O2

M.W.:
384.44

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3805593

Name:
(Z)-2-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-
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Mol. Formula:
C23H20N4O2

M.W.:
384.44

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3806253

Name:
(Z)-2-methyl-N'-(1-methyl-2-oxoindolin-3-ylidene)-
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Mol. Formula:
C23H20N4O2

M.W.:
384.44

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3806289

Name:
(Z)-6-(2-fluorophenyl)-2-methyl-N'-(1-methyl-2-oxo
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Mol. Formula:
C22H17FN4O2

M.W.:
388.40

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3806315

Name:
(Z)-6-(3-fluorophenyl)-2-methyl-N'-(1-methyl-2-oxo
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Mol. Formula:
C22H17FN4O2

M.W.:
388.40

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3805744

Name:
(Z)-6-(4-fluorophenyl)-2-methyl-N'-(1-methyl-2-oxo
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Mol. Formula:
C22H17FN4O2

M.W.:
388.40

15 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3805458

Name:
(Z)-6-(2-bromophenyl)-2-methyl-N'-(1-methyl-2-oxoi
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Mol. Formula:
C22H17BrN4O2

M.W.:
449.31

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3805916

Name:
(Z)-6-(3-bromophenyl)-2-methyl-N'-(1-methyl-2-oxoi
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Mol. Formula:
C22H17BrN4O2

M.W.:
449.31

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
74.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3805483

Name:
(Z)-6-(4-bromophenyl)-2-methyl-N'-(1-methyl-2-oxoi
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Mol. Formula:
C22H17BrN4O2

M.W.:
449.31