Compounds

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
125.72

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4750944

Name:
2-amino-2-(2-(6-octyl-5,6,7,8-tetrahydronaphthalen
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Mol. Formula:
C23H39NO2

M.W.:
361.57

24 activity values

10 unique targets

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
66.48

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3799976

Name:
N-((S)-3-{4-[5-(4-Cyclopentyl-6-methoxy-pyridin-2-
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Mol. Formula:
C27H34N4O6

M.W.:
510.59

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3797486

Name:
(S)-N-(3-(2-Ethyl-4-(5-(6-methoxy-4-(pentan-3-yl)p
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Mol. Formula:
C27H36N4O6

M.W.:
512.61

10 activity values

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3797747

Name:
N-((S)-3-{4-[5-(6-Cyclopentyl-4-methoxy-pyridin-2-
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Mol. Formula:
C27H34N4O6

M.W.:
510.59

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3797365

Name:
(S)-N-(3-(2-Ethyl-4-(5-(6-isobutyl-4-methoxypyridi
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Mol. Formula:
C26H34N4O6

M.W.:
498.58

6 activity values

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3800001

Name:
(S)-N-(3-(2-Ethyl-4-(5-(4-methoxy-6-(pentan-3-yl)p
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Mol. Formula:
C27H36N4O6

M.W.:
512.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3798969

Name:
(S)-N-(3-(4-(5-(2-(Cyclopentyloxy)-6-ethylpyridin-
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Mol. Formula:
C28H36N4O6

M.W.:
524.62

7 activity values

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3799580

Name:
(S)-N-(3-(4-(5-(2-Cyclobutoxy-6-ethylpyridin-4-yl)
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Mol. Formula:
C27H34N4O6

M.W.:
510.59

6 activity values

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3800019

Name:
(S)-N-(3-(4-(5-(2-(Cyclopentyloxy)-6-methylpyridin
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Mol. Formula:
C27H34N4O6

M.W.:
510.59

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3800120

Name:
(S)-N-(3-(4-(5-(2-Cyclobutoxy-6-methylpyridin-4-yl
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Mol. Formula:
C26H32N4O6

M.W.:
496.56

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3799305

Name:
(S)-N-(3-(2-Ethyl-4-(5-(2-isopropoxy-6-methylpyrid
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Mol. Formula:
C25H32N4O6

M.W.:
484.55

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3800496

Name:
(S)-N-(3-(2-Ethyl-4-(5-(2-methoxy-6-phenylpyridin-
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Mol. Formula:
C28H30N4O6

M.W.:
518.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3798839

Name:
(S)-N-(3-(4-(5-(2-Cyclohexyl-6-methoxypyridin-4-yl
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Mol. Formula:
C28H36N4O6

M.W.:
524.62

7 activity values

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3797626

Name:
N-((S)-3-{4-[5-(2-Cyclopentyl-6-methoxy-pyridin-4-
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Mol. Formula:
C27H34N4O6

M.W.:
510.59

16 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3800133

Name:
(S)-N-(3-(4-(5-(2-Cyclobutyl-6-methoxypyridin-4-yl
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Mol. Formula:
C26H32N4O6

M.W.:
496.56

7 activity values

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3799872

Name:
N-((S)-3-{2-Ethyl-4-[5-(2-isobutyl-6-methoxy-pyrid
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Mol. Formula:
C26H34N4O6

M.W.:
498.58

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3800336

Name:
N-[(S)-3-(2-Ethyl-4-{5-[2-(1-ethyl-propyl)-6-metho
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Mol. Formula:
C27H36N4O6

M.W.:
512.61

16 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
139.83

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4541678

Name:
2-((R)-1-((R)-2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifl
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Mol. Formula:
C27H25F3N4O5

M.W.:
542.51