Compounds

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4095401

Name:
6'(S)-9-(5',6',7'-Deoxy-6'-amine-7'-cyclopropyl-be
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Mol. Formula:
C15H22N6O3

M.W.:
334.38

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4104425

Name:
6,7-Dimethoxy-N2-(5-methylhexyl)-N4-(1-methylpiper
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Mol. Formula:
C23H37N5O2

M.W.:
415.58

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4103578

Name:
6'(R)-9-(5',6',7'-Deoxy-6'-amine-7'-cyclopropyl-be
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Mol. Formula:
C15H22N6O3

M.W.:
334.38

7 activity values

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4103150

Name:
N-Cyclohexylmethyl-N-methyl-5'-deoxy-5'-amino-aden
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Mol. Formula:
C18H28N6O3

M.W.:
376.46

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
122.55

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4101782

Name:
N2-Butyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)
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Mol. Formula:
C23H37N5O2

M.W.:
415.58

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
62.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4093972

Name:
6,7-Dimethoxy-N4-(1-methylpiperidin-4-yl)-N2-neope
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Mol. Formula:
C21H33N5O2

M.W.:
387.53

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4093389

Name:
6'(R)-9-(5',6',7',8'-Deoxy-6'-amine-8'-cyclohexyl-
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Mol. Formula:
C19H30N6O3

M.W.:
390.49

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4090654

Name:
N2-Benzyl-6,7-dimethoxy-N2-methyl-N4-(1-methylpipe
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Mol. Formula:
C24H31N5O2

M.W.:
421.55

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
62.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4089220

Name:
6'(S)-9-(5',6',7'-Deoxy-6'-amine-7'-cyclopentyl-be
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Mol. Formula:
C17H26N6O3

M.W.:
362.43

7 activity values

Type:
Small molecule

AlogP:
0.33

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4088064

Name:
N2-Hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)
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Mol. Formula:
C23H36N4O2

M.W.:
400.57

3 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
58.65

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4085649

Name:
6'(R)-9-(5',6',7'-Deoxy-6'-amine-7'-cyclobutyl-bet
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Mol. Formula:
C16H24N6O3

M.W.:
348.41

Type:
Small molecule

AlogP:
-0.06

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4085220

Name:
N-Cyclohexylmethyl-N-ethyl-5'-deoxy-5'-amino-adeno
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Mol. Formula:
C19H30N6O3

M.W.:
390.49

Type:
Small molecule

AlogP:
0.93

Polar Surface Area:
122.55

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4072358

Name:
3-((6,7-Dimethoxy-4-((1-methylpiperidin-4-yl)amino
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Mol. Formula:
C20H31N5O3

M.W.:
389.50

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
82.98

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4069640

Name:
2-((6,7-Dimethoxy-4-((1-methylpiperidin-4-yl)amino
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Mol. Formula:
C19H29N5O3

M.W.:
375.47

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
82.98

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4063767

Name:
N2-Ethyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)
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Mol. Formula:
C21H33N5O2

M.W.:
387.53

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
62.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4083783

Name:
N2-Cyclohexyl-6,7-dimethoxy-N4-(1-methylpiperidin-
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Mol. Formula:
C22H33N5O2

M.W.:
399.54

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4082847

Name:
6,7-Dimethoxy-N2-(2-methoxyethyl)-N2-methyl-N4-(1-
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Mol. Formula:
C20H31N5O3

M.W.:
389.50

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
71.98

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4080189

Name:
6-((6,7-Dimethoxy-4-((1-methylpiperidin-4-yl)amino
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Mol. Formula:
C22H35N5O3

M.W.:
417.55

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
91.77

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4077793

Name:
6'(R)-9-(5',6',7'-Deoxy-6'-amine-7'-cyclohexyl-bet
Show More⌵

Mol. Formula:
C18H28N6O3

M.W.:
376.46

7 activity values