Compounds

ALA5287046

Name:
benzyl 2-[[(2R,4aR,6R,7aR)-6-(4-amino-2-oxo-pyrimi
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Mol. Formula:
C18H18F2N3O8P

M.W.:
473.33

Type:
---

AlogP:
1.64

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5285715

Name:
N-(5-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H
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Mol. Formula:
C45H43ClN8O7S

M.W.:
875.41

Type:
---

AlogP:
5.89

Polar Surface Area:
194.05

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5285238

Name:
Benzyl 2-(((4aR,6R,7aR)-6-(4-Amino-2-oxopyrimidin-
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Mol. Formula:
C18H18F2N3O8P

M.W.:
473.33

Type:
---

AlogP:
1.64

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5284006

Name:
N-(3-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H
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Mol. Formula:
C43H39ClN8O7S

M.W.:
847.35

Type:
---

AlogP:
5.11

Polar Surface Area:
194.05

HBA:
12

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5283380

Name:
Ethyl 2-(((4aR,6R,7aR)-6-(4-Amino-2-oxopyrimidin-1
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Mol. Formula:
C13H16F2N3O8P

M.W.:
411.25

Type:
---

AlogP:
0.46

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5283366

Name:
N-(3,4-bis((2,4-difluorobenzyl)oxy)benzyl)-1-cyclo
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Mol. Formula:
C28H29F4NO2

M.W.:
487.54

Type:
---

AlogP:
7.07

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5283271

Name:
5-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-th
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Mol. Formula:
C39H39ClN8O7S

M.W.:
799.31

Type:
---

AlogP:
4.07

Polar Surface Area:
194.05

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5282964

Name:
Benzyl ((((2R,3R,5R)-5-(4-Amino-2-oxopyrimidin-1(2
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Mol. Formula:
C22H27F2N4O10P

M.W.:
576.45

Type:
---

AlogP:
0.75

Polar Surface Area:
190.53

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5282062

Name:
N-(2-aminophenyl)-4-(((2-(2,6-dioxopiperidin-3-yl)
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Mol. Formula:
C27H24N4O5

M.W.:
484.51

Type:
---

AlogP:
2.86

Polar Surface Area:
130.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5280744

Name:
Benzyl ((((2R,3R,5R)-4,4-Difluoro-3-hydroxy-5-(2-o
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Mol. Formula:
C33H41F2N4O9P

M.W.:
706.68

Type:
---

AlogP:
5.22

Polar Surface Area:
167.31

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5280268

Name:
2-((3,4-bis(benzyloxy)benzyl)amino)ethan-1-ol

Mol. Formula:
C23H25NO3

M.W.:
363.46

Type:
---

AlogP:
3.93

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5279684

Name:
Isopropyl ((((2R,3R,5R)-4,4-Difluoro-3-hydroxy-5-(
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Mol. Formula:
C26H41F2N4O11P

M.W.:
654.60

Type:
---

AlogP:
2.54

Polar Surface Area:
193.61

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5279260

Name:
Methyl 2-(((4aR,6R,7aR)-6-(4-Amino-2-oxopyrimidin-
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Mol. Formula:
C12H14F2N3O8P

M.W.:
397.23

Type:
---

AlogP:
0.07

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5278247

Name:
Benzyl 5-(((4aR,6R,7aR)-6-(4-Amino-2-oxopyrimidin-
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Mol. Formula:
C21H24F2N3O8P

M.W.:
515.41

Type:
---

AlogP:
2.81

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5278119

Name:
methyl 4'-(phenethylcarbamoyl)-2,2'-bipyridine-4-c
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Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
---

AlogP:
2.90

Polar Surface Area:
81.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5277943

Name:
N-(2-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H
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Mol. Formula:
C42H39ClN8O6S

M.W.:
819.34

Type:
---

AlogP:
5.08

Polar Surface Area:
176.98

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5291086

Name:
{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin
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Mol. Formula:
C18H20F2N3O9P

M.W.:
491.34

Type:
---

AlogP:
0.60

Polar Surface Area:
172.43

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5290363

Name:
N-(4-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H
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Mol. Formula:
C44H43ClN8O6S

M.W.:
847.40

Type:
---

AlogP:
5.86

Polar Surface Area:
176.98

HBA:
11

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5290307

Name:
Benzyl 3-(((4aR,6R,7aR)-6-(4-Amino-2-oxopyrimidin-
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Mol. Formula:
C19H20F2N3O8P

M.W.:
487.35

Type:
---

AlogP:
2.03

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5289380

Name:
benzyl 2-[[(2S,4aR,6R,7aR)-6-(4-amino-2-oxo-pyrimi
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Mol. Formula:
C18H18F2N3O8P

M.W.:
473.33

Type:
---

AlogP:
1.64

Polar Surface Area:
141.20

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS