Compounds

ALA4594190

Name:
2-(4-Amino-2-oxopyrimidin-1(2H)-yl)-N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-niShow More⌵

Mol. Formula:
C26H32N6O7S

M.W.:
572.64

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
190.76

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4593844

Name:
2-(2-Amino-6-chloro-9H-purin-9-yl)-N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-metShow More⌵

Mol. Formula:
C28H34ClN7O5S

M.W.:
616.14

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
165.56

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4592624

Name:
(1R,3aS,7aR)-Octahydro-1,6-epoxyisobenzofuran-5-yl ((2S,3R)-4-((2-(CycloproShow More⌵

Mol. Formula:
C33H40F2N4O7S2

M.W.:
706.83

9 activity values

3 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
139.32

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4591870

Name:
2-(6-Amino-9H-purin-9-yl)-N-((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamidoShow More⌵

Mol. Formula:
C27H34N8O4S

M.W.:
566.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
182.35

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4591334

Name:
5-((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(4-((S)-1-carboxyethylamino)-4-oxShow More⌵

Mol. Formula:
C44H70N2O8

M.W.:
755.05

1 activity values

1 unique targets

Type:
Unknown

AlogP:
8.08

Polar Surface Area:
159.10

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4590698

Name:
11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(benzoyloxy)-2,2,6a,6b,9,9,12a-Show More⌵

Mol. Formula:
C48H73NO5

M.W.:
744.11

1 activity values

1 unique targets

Type:
Unknown

AlogP:
11.73

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4590416

Name:
(S)-2-(11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(dodecanoyloxy)-2,2,6a,6Show More⌵

Mol. Formula:
C58H100N2O6

M.W.:
921.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
14.47

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4590327

Name:
2-(6-Chloro-9H-purin-9-yl)-N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenShow More⌵

Mol. Formula:
C28H33ClN6O5S

M.W.:
601.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
139.54

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4589814

Name:
5-((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(11-((S)-1-carboxyethylamino)-11-Show More⌵

Mol. Formula:
C49H80N2O8

M.W.:
825.19

1 activity values

1 unique targets

Type:
Unknown

AlogP:
10.17

Polar Surface Area:
159.10

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4589326

Name:
3beta-((2-Carboxy)benzoyloxy)-28-(3-(1-carboxymethyl)-carbamoylpropylamino)Show More⌵

Mol. Formula:
C44H62N2O8

M.W.:
746.99

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.81

Polar Surface Area:
159.10

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4589247

Name:
2-(4-Amino-2-oxopyrimidin-1(2H)-yl)-N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-meShow More⌵

Mol. Formula:
C27H35N5O6S

M.W.:
557.67

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.27

Polar Surface Area:
156.85

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4588514

Name:
2-(2-Amino-6-methoxy-9H-purin-9-yl)-N-((2S,3R)-4-(4-amino-N-isobutylphenylsShow More⌵

Mol. Formula:
C28H36N8O5S

M.W.:
596.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
191.58

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4587376

Name:
2-(2-Amino-9H-purin-9-yl)-N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-methoxyphenyShow More⌵

Mol. Formula:
C28H35N7O5S

M.W.:
581.70

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
165.56

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4587353

Name:
N-((2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-Show More⌵

Mol. Formula:
C27H31N7O6S

M.W.:
581.66

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
173.45

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4586500

Name:
6-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(dodecanoyloxy)-2,2,6a,6b,9,9,12Show More⌵

Mol. Formula:
C48H81NO5

M.W.:
752.18

1 activity values

1 unique targets

Type:
Unknown

AlogP:
12.38

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4586218

Name:
(1S,3aR,5S,7aS)-Octahydro-1,6-epoxyisobenzofuran-5-yl ((2S,3R)-4-((2-(CycloShow More⌵

Mol. Formula:
C33H40F2N4O7S2

M.W.:
706.83

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
139.32

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4586167

Name:
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((N-(2-Ethylbutyl)-4Show More⌵

Mol. Formula:
C31H44N2O8S

M.W.:
604.77

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
134.63

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4585893

Name:
2-(11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(hexanoyloxy)-2,2,6a,6b,9,9,Show More⌵

Mol. Formula:
C49H82N2O6

M.W.:
795.20

1 activity values

1 unique targets

Type:
Unknown

AlogP:
11.11

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4585104

Name:
6-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(butyryloxy)-2,2,6a,6b,9,9,12a-hShow More⌵

Mol. Formula:
C40H65NO5

M.W.:
639.96

1 activity values

1 unique targets

Type:
Unknown

AlogP:
9.26

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4583484

Name:
(S)-2-(11-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(butyryloxy)-2,2,6a,6b,9Show More⌵

Mol. Formula:
C50H84N2O6

M.W.:
809.23

1 activity values

1 unique targets

Type:
Unknown

AlogP:
11.35

Polar Surface Area:
121.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS