Compounds

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
126.85

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4099281

Name:
(S)-(4-((7-fluoro-6-methoxy-1-oxoisoindolin-2-yl)m
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Mol. Formula:
C31H35FN6O7

M.W.:
622.65

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
137.76

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4099113

Name:
(3R,4R)-N,3-dihydroxy-4-[({4-[(2-methylquinolin-4-
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Mol. Formula:
C23H26N4O6S

M.W.:
486.55

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
149.88

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4099110

Name:
1-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxypyrro
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Mol. Formula:
C15H18N2O5S

M.W.:
338.38

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4099044

Name:
NA

Mol. Formula:
C92H147N37O19S6

M.W.:
2267.83

7 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4098911

Name:
(S)-(4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-2,
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Mol. Formula:
C30H32N6O8

M.W.:
604.62

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
163.62

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4097996

Name:
N-hydroxy-3-methyl-1-((4-((2-methylquinolin-4-yl)m
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Mol. Formula:
C24H31N3O5S

M.W.:
473.60

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
108.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4097872

Name:
(2R,4S)-1-acetyl-N-hydroxy-4-(4-((2-methyl-5,6,7,8
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Mol. Formula:
C24H29N3O6S

M.W.:
487.58

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
125.90

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4097420

Name:
exo-N-Hydroxy-3-[({4-[(2-methylquinolin-4-yl)metho
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Mol. Formula:
C25H27N3O5S

M.W.:
481.57

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
117.62

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4096933

Name:
tert-Butyl cis-3-[(hydroxyamino)carbonyl]-4-[({4-[
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Mol. Formula:
C27H32N4O7S

M.W.:
556.64

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
147.16

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4096921

Name:
(2S,4S)-1-acetyl-4-(4-(but-2-ynyloxy)phenylsulfony
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Mol. Formula:
C17H20N2O6S

M.W.:
380.42

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
113.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4096228

Name:
1-acetyl-N-hydroxy-4-(4-((2-methyl-5,6,7,8-tetrahy
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Mol. Formula:
C24H30N4O6S

M.W.:
502.59

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
129.14

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4095929

Name:
(S)-5-((7-fluoro-6-methoxy-1-oxoisoindolin-2-yl)me
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Mol. Formula:
C24H21FN6O6

M.W.:
508.47

Type:
Small molecule

AlogP:
0.60

Polar Surface Area:
146.11

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4095754

Name:
(S)-5-(furo[3,2-b]pyridin-2-yl)-5-((6-methoxy-1-ox
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Mol. Formula:
C21H18N4O5

M.W.:
406.40

2 activity values

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
104.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4095412

Name:
(S)-5-(4-hydroxyfuro[3,2-c]pyridin-2-yl)-5-((6-met
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Mol. Formula:
C20H16N4O6

M.W.:
408.37

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
134.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4095286

Name:
N-hydroxy-4-(4-((2-methyl-5,6,7,8-tetrahydroquinol
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Mol. Formula:
C25H32N4O6S

M.W.:
516.62

2 activity values

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
129.14

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4095196

Name:
(S)-5-(imidazo[1,2-a]pyrimidin-2-yl)-5-((6-methoxy
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Mol. Formula:
C19H16N6O4

M.W.:
392.38

Type:
Small molecule

AlogP:
0.43

Polar Surface Area:
117.93

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4094984

Name:
(S)-5-(7-fluorofuro[3,2-c]pyridin-2-yl)-5-((6-meth
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Mol. Formula:
C20H15FN4O5

M.W.:
410.36

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
113.77

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4094836

Name:
NA

Mol. Formula:
C80H131N33O21S6

M.W.:
2083.54

5 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4104084

Name:
(S)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(
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Mol. Formula:
C21H15F3N4O5

M.W.:
460.37