Compounds

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
122.83

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4759243

Name:
(2R,3R,4S,5R,6R)-N-(1,3-benzothiazol-6-yl)-4-[4-(4
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Mol. Formula:
C24H22BrF2N5O5S

M.W.:
610.44

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
122.83

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4779606

Name:
(2R,3R,4S,5R,6R)-N-(1,3-benzothiazol-6-yl)-4-[4-(3
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Mol. Formula:
C24H22Cl2FN5O5S

M.W.:
582.44

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
122.83

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4778131

Name:
(2R,3R,4S,5R,6R)-N-(5-chloro-2-ethylsulfonyl-pheny
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Mol. Formula:
C25H26ClF3N4O7S

M.W.:
619.02

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
144.08

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4582862

Name:
Methyl 3-((2-amino-6-phenyl-pyrimidin-4-yl)methyl)
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Mol. Formula:
C18H23N3O6

M.W.:
377.40

9 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
140.18

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4791572

Name:
(2R,3R,4S,5R,6R)-N-(1,3-benzothiazol-6-yl)-4-[4-(2
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Mol. Formula:
C24H22Cl2FN5O5S

M.W.:
582.44

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
122.83

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4075335

Name:
3'-Deoxy-3'-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1
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Mol. Formula:
C20H26FN3O9S2

M.W.:
535.57

2 activity values

Type:
Small molecule

AlogP:
-1.75

Polar Surface Area:
190.78

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4754458

Name:
(2R,3R,4S,5R,6R)-N-(1,3-benzothiazol-6-yl)-4-[4-(4
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Mol. Formula:
C24H22ClF2N5O5S

M.W.:
565.99

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
122.83

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4873509

Name:
3-O-[(7-Methoxycarbonyl-quinolin-2-yl)-methyl]-D-g
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Mol. Formula:
C18H19NO6

M.W.:
345.35

18 activity values

8 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
98.11

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5208259

Name:
3,3'-Dideoxy-3,3'-bis-[4-(3-fluorophenyl)-1H-1,2,3
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Mol. Formula:
C33H40F2N6O8S

M.W.:
718.78

3 activity values

2 unique targets

Type:
---

AlogP:
3.15

Polar Surface Area:
146.26

HBA:
15

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5207395

Name:
(2R,3R,4S,5R,6R)-2-(5-(3-Chlorophenyl)-1H-1,2,3-tr
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Mol. Formula:
C22H18ClF3N6O4

M.W.:
522.87

Type:
---

AlogP:
2.13

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5206873

Name:
(2S,3R,4R,5R,6R)-2-(1-(5-Chloro-2-(trifluoromethyl
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Mol. Formula:
C24H19Cl2F5N6O4

M.W.:
621.35

17 activity values

7 unique targets

Type:
---

AlogP:
3.83

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5205178

Name:
(2S,3R,4R,5R,6R)-2-(1-(3,5-Dichlorophenyl)-3-methy
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Mol. Formula:
C23H19Cl2F3N6O4

M.W.:
571.34

Type:
---

AlogP:
2.95

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5204834

Name:
(2S,3R,4R,5R,6R)-4-(4-(4-Chloro-2,3-difluorophenyl
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Mol. Formula:
C24H19Cl2F5N6O4

M.W.:
621.35

8 activity values

6 unique targets

Type:
---

AlogP:
3.83

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5204125

Name:
(2S,3R,4R,5R,6R)-4-(4-(4-Bromo-3-fluorophenyl)-1H-
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Mol. Formula:
C24H20BrClF4N6O4

M.W.:
647.81

6 activity values

5 unique targets

Type:
---

AlogP:
3.80

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5200890

Name:
(2R,3R,4S,5R,6R)-2-(5-(3,4-Dichlorophenyl)-1H-1,2,
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Mol. Formula:
C22H17Cl2F3N6O4

M.W.:
557.32

Type:
---

AlogP:
2.78

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5193419

Name:
(2S,3R,4R,5R,6R)-2-(1-(2-Bromo-5-chlorophenyl)-3-m
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Mol. Formula:
C23H19BrClF3N6O4

M.W.:
615.79

Type:
---

AlogP:
3.06

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5192669

Name:
(2S,3R,4R,5R,6R)-2-(1-(3,4-Dichlorophenyl)-3-methy
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Mol. Formula:
C23H19Cl2F3N6O4

M.W.:
571.34

Type:
---

AlogP:
2.95

Polar Surface Area:
131.34

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5191817

Name:
(2S,3R,4R,5R,6R)-2-(1-(3-Chlorophenyl)-1H-1,2,4-tr
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Mol. Formula:
C22H18ClF3N6O4

M.W.:
522.87