Compounds

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
69.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4645617

Name:
5-chloro-N2-[5-(4-methylpiperazin-1-yl)-2-pyridyl]
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Mol. Formula:
C21H21ClF3N7O

M.W.:
479.89

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
78.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4643366

Name:
5-chloro-N4-[4-fluoro-3-(trifluoromethyl)phenyl]-N
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Mol. Formula:
C21H20ClF4N7

M.W.:
481.89

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
69.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4642078

Name:
5-chloro-N2-[5-(4-methylpiperazin-1-yl)-2-pyridyl]
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Mol. Formula:
C21H21ClF3N7

M.W.:
463.89

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
69.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4638522

Name:
5-chloro-N4-(4-fluorophenyl)-N2-[5-(4-methylpipera
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Mol. Formula:
C20H21ClFN7

M.W.:
413.89

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
69.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4637018

Name:
5-chloro-N2-[5-(4-methylpiperazin-1-yl)-2-pyridyl]
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Mol. Formula:
C21H21ClF3N7O

M.W.:
479.89

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
78.44

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4294301

Name:
(1r,4r)-N1-(5-Chloro-4-(2-(((tetrahydro-2H-pyran-4
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Mol. Formula:
C24H36ClN5O2S

M.W.:
494.11

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
80.33

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4294123

Name:
N-(5-Chloro-4-(2-(((tetrahydro-2H-pyran-4-yl)methy
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Mol. Formula:
C21H20ClFN4O2S

M.W.:
446.94

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
76.14

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4293383

Name:
(1r,4r)-N1-(5-Chloro-4-(2-((cyclohexylmethyl)amino
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Mol. Formula:
C24H36ClN5OS

M.W.:
478.11

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
71.10

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4293213

Name:
(1r,4r)-N1-(5-Chloro-4-(2-(((tetrahydro-2H-pyran-4
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Mol. Formula:
C23H34ClN5O2S

M.W.:
480.08

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
80.33

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4292333

Name:
(1r,4r)-N1-(5-Chloro-4-(2-(methylamino)thiazol-4-y
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Mol. Formula:
C18H26ClN5OS

M.W.:
395.96

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
71.10

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4291684

Name:
4-(((4-(5-Chloro-2-(((1R,4r)-4-(((R)-1-methoxyprop
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Mol. Formula:
C25H35ClN6O2S

M.W.:
519.12

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
104.12

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4290724

Name:
4-(2-((((1r,4r)-4-Aminocyclohexyl)methyl)amino)-5-
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Mol. Formula:
C21H30ClN5OS

M.W.:
436.03

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
85.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4289836

Name:
(1r,4r)-N1-(2-Methoxyethyl)-N4-(5-methyl-4-(2-(((t
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Mol. Formula:
C24H37N5O2S

M.W.:
459.66

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
80.33

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4289648

Name:
4-(5-Chloro-2-fluoropyridin-4-yl)-N-((tetrahydro-2
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Mol. Formula:
C14H15ClFN3OS

M.W.:
327.81

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
47.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4288923

Name:
N1-(4-(2-((((1r,5R,7S)-Adamantan-2-yl)methyl)amino
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Mol. Formula:
C28H40ClN5OS

M.W.:
530.18

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
71.10

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4288265

Name:
4-(5-Chloro-2-(((1r,4r)-4-((2-methoxyethyl)amino)c
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Mol. Formula:
C23H33ClN4O3S

M.W.:
481.06

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
77.53

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4287488

Name:
(1r,4r)-N1-(5-Chloro-4-(2-((tetrahydro-2H-pyran-4-
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Mol. Formula:
C23H33ClN4O3S

M.W.:
481.06

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
77.53

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4287416

Name:
(1r,4r)-N1-(5-Chloro-4-(2-((4-fluorobenzyl)amino)t
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Mol. Formula:
C24H29ClFN5OS

M.W.:
490.05

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
71.10

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4287306

Name:
N-(1r,4r)-(4-((5-Chloro-4-(2-(((tetrahydro-2H-pyra
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Mol. Formula:
C24H32ClN5O2S

M.W.:
490.07