Compounds

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
195.27

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4645967

Name:
(4S)-1-Methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(2H-Show More⌵

Mol. Formula:
C23H24N10O5S

M.W.:
552.58

6 activity values

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
195.27

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4645901

Name:
(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(2H-Show More⌵

Mol. Formula:
C23H24N10O5S

M.W.:
552.58

15 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
195.27

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4645057

Name:
(4S)-N-{(3S,5S)-1-acetyl-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]pyrrolidinShow More⌵

Mol. Formula:
C17H22N6O5S

M.W.:
422.47

Type:
Unknown

AlogP:
-0.78

Polar Surface Area:
140.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4644527

Name:
(4S)-1-methyl-N-[(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-{[4-(2HShow More⌵

Mol. Formula:
C23H26N10O4S

M.W.:
538.59

Type:
Unknown

AlogP:
0.05

Polar Surface Area:
178.20

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4642911

Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuShow More⌵

Mol. Formula:
C41H69N12O21P3S2

M.W.:
1223.12

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4642788

Name:
(4S)-1-methyl-N-{(3S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(2H-tetShow More⌵

Mol. Formula:
C23H24N10O5S

M.W.:
552.58

3 activity values

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
195.27

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4642700

Name:
(4S)-1-methyl-N-{(3S,5S)-5-(4-methyl-1,3-thiazol-2-yl)-1-[4-(2H-tetrazol-5-Show More⌵

Mol. Formula:
C22H23N9O4S

M.W.:
509.55

Type:
Unknown

AlogP:
0.64

Polar Surface Area:
166.17

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4640907

Name:
(4S)-1-Methyl-N-{(3S,5S)-5-(4-methyl-1,3-thiazol-2-yl)-1-[4-(4H-1,2,4-triazShow More⌵

Mol. Formula:
C23H24N8O4S

M.W.:
508.56

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
153.28

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4639216

Name:
(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-oxazol-2-yl]-1-[4-(2H-tShow More⌵

Mol. Formula:
C23H24N10O6

M.W.:
536.51

Type:
Unknown

AlogP:
-0.77

Polar Surface Area:
208.41

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4637072

Name:
(4S)-N-[(3S,5S)-1-benzoyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]-1-mShow More⌵

Mol. Formula:
C21H23N5O4S

M.W.:
441.51

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
111.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4636574

Name:
(4S)-1-methyl-N-{(3S,5S)-5-(4-methyl-1,3-thiazol-2-yl)-1-[4-(1H-1,2,3-triazShow More⌵

Mol. Formula:
C23H24N8O4S

M.W.:
508.56

Type:
Unknown

AlogP:
1.04

Polar Surface Area:
142.42

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4636177

Name:
3-[(2S,4S)-4-{[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino}-2-(4Show More⌵

Mol. Formula:
C22H23N5O6S

M.W.:
485.52

Type:
Unknown

AlogP:
1.16

Polar Surface Area:
149.01

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4635926

Name:
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4Show More⌵

Mol. Formula:
C24H38N6O4

M.W.:
474.61

8 activity values

3 unique targets

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
125.43

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4635301

Name:
N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-Show More⌵

Mol. Formula:
C24H38N6O4

M.W.:
474.61

3 activity values

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
125.43

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4634916

Name:
(S)-1-((5S,8S,21R)-21-hydroxy-5-isobutyl-22,22-dimethyl-8-(2-(methylthio)etShow More⌵

Mol. Formula:
C31H55N7O8S2

M.W.:
717.96

Type:
Unknown

AlogP:
-0.89

Polar Surface Area:
229.13

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4633201

Name:
((2R)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-Show More⌵

Mol. Formula:
C24H38N6O4

M.W.:
474.61

5 activity values

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
125.43

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4632414

Name:
(4S)-1-methyl-N-{(3S,5S)-5-(4-methyl-1,3-thiazol-2-yl)-1-[4-(2H-tetrazol-2-Show More⌵

Mol. Formula:
C22H23N9O4S

M.W.:
509.55

Type:
Unknown

AlogP:
0.44

Polar Surface Area:
155.31

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

acetyl CoA

Name:
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphoShow More⌵

Mol. Formula:
C23H38N7O17P3S

M.W.:
809.58

6 activity values