Compounds

ALA5282292

Name:
8-cyclopentyl-2-(ethylamino)-6-((1-(methylsulfonyl
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Mol. Formula:
C19H29N7O3S

M.W.:
435.55

Type:
---

AlogP:
1.57

Polar Surface Area:
122.11

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281814

Name:
4-fluoro-N-(4-fluoro-2-(3-(methylthio)-5-oxo-2,3,4
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Mol. Formula:
C17H14F2N4O2S

M.W.:
376.39

Type:
---

AlogP:
2.29

Polar Surface Area:
82.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5281251

Name:
8-cyclopentyl-6-hydrazinyl-2-((1-(methylsulfonyl)p
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Mol. Formula:
C17H26N8O3S

M.W.:
422.52

Type:
---

AlogP:
0.42

Polar Surface Area:
148.13

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5280538

Name:
6-hydroxy-2-((1-(methylsulfonyl)piperidin-4-yl)ami
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Mol. Formula:
C16H23N7O4S

M.W.:
409.47

Type:
---

AlogP:
-0.74

Polar Surface Area:
142.34

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280432

Name:
8-(sec-butyl)-6-methoxy-2-((1-(methylsulfonyl)pipe
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Mol. Formula:
C17H26N6O4S

M.W.:
410.50

Type:
---

AlogP:
1.00

Polar Surface Area:
119.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280030

Name:
6-methoxy-2-((1-(methylsulfonyl)piperidin-4-yl)ami
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Mol. Formula:
C18H26N6O5S

M.W.:
438.51

Type:
---

AlogP:
0.38

Polar Surface Area:
128.54

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5279829

Name:
6-(5-fluoro-2-(methylamino)phenyl)-3-(methylthio)-
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Mol. Formula:
C11H13FN4OS

M.W.:
268.32

Type:
---

AlogP:
0.94

Polar Surface Area:
65.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279668

Name:
6-(2-amino-5-fluorophenyl)-3-(4-fluorophenylamino)
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Mol. Formula:
C15H13F2N5O

M.W.:
317.30

Type:
---

AlogP:
1.37

Polar Surface Area:
91.54

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5278558

Name:
4-(5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)-6-m
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Mol. Formula:
C19H12F2N6OS

M.W.:
410.41

Type:
---

AlogP:
3.40

Polar Surface Area:
89.35

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5287185

Name:
4-(5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)-1,2
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Mol. Formula:
C17H10F2N6S2

M.W.:
400.44

Type:
---

AlogP:
4.39

Polar Surface Area:
75.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5285888

Name:
N-(5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)hydr
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Mol. Formula:
C16H12F2N6S

M.W.:
358.38

Type:
---

AlogP:
2.64

Polar Surface Area:
88.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5285775

Name:
6-(2-amino-5-fluorophenyl)-3-mercapto-3,4-dihydro-
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Mol. Formula:
C9H9FN4OS

M.W.:
240.26

Type:
---

AlogP:
0.04

Polar Surface Area:
79.51

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5285374

Name:
N,N'-(2,2'-(3,3'-disulfanediylbis(5-oxo-2,3,4,5-te
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Mol. Formula:
C32H22F4N8O4S2

M.W.:
722.71

Type:
---

AlogP:
4.24

Polar Surface Area:
165.18

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5291360

Name:
8-(2,3-difluorophenyl)imidazo[1,2-c]pyrimidin-5(6H
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Mol. Formula:
C12H7F2N3O

M.W.:
247.20

Type:
---

AlogP:
1.97

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA5291294

Name:
4-((8-cyclopentyl-2-(ethylamino)-7-oxo-7,8-dihydro
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Mol. Formula:
C20H32N8O3S

M.W.:
464.60

Type:
---

AlogP:
1.42

Polar Surface Area:
125.35

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5291022

Name:
8-cyclopentyl-6-hydroxy-2-((1-(methylsulfonyl)pipe
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Mol. Formula:
C17H24N6O4S

M.W.:
408.48

Type:
---

AlogP:
0.84

Polar Surface Area:
130.31

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5290919

Name:
8-cyclopentyl-6-hydroxy-2-((4-(methylsulfonyl)phen
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Mol. Formula:
C18H19N5O4S

M.W.:
401.45

Type:
---

AlogP:
2.15

Polar Surface Area:
127.07

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5288780

Name:
4-(5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)-1H-
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Mol. Formula:
C17H10F2N6S

M.W.:
368.37

Type:
---

AlogP:
3.73

Polar Surface Area:
72.28

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5288724

Name:
4-((8-cyclopentyl-2-hydrazinyl-7-oxo-7,8-dihydropt
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Mol. Formula:
C18H29N9O3S

M.W.:
451.56

Type:
---

AlogP:
0.27

Polar Surface Area:
151.37

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5288714

Name:
8-cyclopentyl-6-hydroxy-2-((4-(4-methylpiperazin-1
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Mol. Formula:
C22H27N7O2

M.W.:
421.51

Type:
---

AlogP:
2.50

Polar Surface Area:
99.41

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS