Compounds

Type:
Small molecule

AlogP:
-1.58

Polar Surface Area:
104.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3358096

Name:
(R)-2-(1-(2-(3-ethoxy-4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)-5-methShow More⌵

Mol. Formula:
C25H35N5O5S2

M.W.:
549.72

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
136.86

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3358095

Name:
(S)-2-(1-(2-(3-ethoxy-4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)-5-methShow More⌵

Mol. Formula:
C25H35N5O5S2

M.W.:
549.72

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
136.86

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3358092

Name:
1-(5-(4-((2,6-diaminopyrimidin-4-ylthio)methyl)-5-propylthiazol-2-yl)-2-metShow More⌵

Mol. Formula:
C22H29N5O3S2

M.W.:
475.64

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
129.40

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3358091

Name:
1-(5-(4-((4-aminopyrimidin-2-ylthio)methyl)-5-propylthiazol-2-yl)-2-methoxyShow More⌵

Mol. Formula:
C22H28N4O3S2

M.W.:
460.63

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
103.38

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3358090

Name:
(S)-N-(2-(5-(4-(1-(4,6-diaminopyrimidin-2-ylthio)ethyl)-5-methylthiazol-2-yShow More⌵

Mol. Formula:
C20H26N6O4S3

M.W.:
510.67

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
155.34

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3109105

Name:
4-N-(11-Fluoroundecanoyl)-2'-deoxy-2',2'-difluorocytidine

Mol. Formula:
C20H30F3N3O5

M.W.:
449.47

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
113.68

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3108784

Name:
4-N-(12-Tridecenoyl)-2'-deoxy-2',2'-difluorocytidine

Mol. Formula:
C22H33F2N3O5

M.W.:
457.52

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
113.68

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3109100

Name:
4-N-(11-Bromoundecanoyl)-2'-deoxy-2',2'-difluorocytidine

Mol. Formula:
C20H30BrF2N3O5

M.W.:
510.38

1 activity values

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
113.68

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3109099

Name:
4-N-(11-Bromoundecanoyl)-3',5'-di-O-(tert-butoxycarbonyl)-2'-deoxy-2',2'-diShow More⌵

Mol. Formula:
C30H46BrF2N3O9

M.W.:
710.61

1 activity values

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
144.28

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2426598

Name:
2-(((5-Ethyl-2-(3-(2-fluoroethoxy)-4-methoxyphenyl)thiazol-4-yl)methyl)thioShow More⌵

Mol. Formula:
C19H22FN5O2S2

M.W.:
435.55

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
109.17

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2426597

Name:
6-(((2-(5-(2-fluoroethoxy)-2-methoxyphenyl)thiazol-4-yl)methyl)thio)-1,3,5-Show More⌵

Mol. Formula:
C16H17FN6O2S2

M.W.:
408.48

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
122.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2426596

Name:
6-(((2-(3-(3-fluoropropoxy)-4-methoxyphenyl)thiazol-4-yl)methyl)thio)-1,3,5Show More⌵

Mol. Formula:
C17H19FN6O2S2

M.W.:
422.51

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
122.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2426595

Name:
6-(((2-(3-(2-fluoroethoxy)-4-methylphenyl)thiazol-4-yl)methyl)thio)-1,3,5-tShow More⌵

Mol. Formula:
C16H17FN6OS2

M.W.:
392.49

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
112.83

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2426594

Name:
6-(((2-(4-ethoxy-3-(2-fluoroethoxy)phenyl)thiazol-4-yl)methyl)thio)-1,3,5-tShow More⌵

Mol. Formula:
C17H19FN6O2S2

M.W.:
422.51

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
122.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2426593

Name:
6-(((2-(3-(2-fluoroethoxy)-4-methoxyphenyl)thiazol-4-yl)methyl)thio)-1,3,5-Show More⌵

Mol. Formula:
C16H17FN6O2S2

M.W.:
408.48

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
122.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2426592

Name:
6-(((2-(4-(2-fluoroethoxy)-3-methoxyphenyl)thiazol-4-yl)methyl)thio)-1,3,5-Show More⌵

Mol. Formula:
C16H17FN6O2S2

M.W.:
408.48

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
122.06

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2426591

Name:
2-(((2-(3-fluorophenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diaShow More⌵

Mol. Formula:
C15H14FN5S2

M.W.:
347.44

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
90.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2426590

Name:
2-(((2-(4-fluorophenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6-diaShow More⌵

Mol. Formula:
C15H14FN5S2

M.W.:
347.44

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
90.71

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2426589

Name:
2-(((2-(3,5-difluorophenyl)-5-methylthiazol-4-yl)methyl)thio)pyrimidine-4,6Show More⌵

Mol. Formula:
C15H13F2N5S2

M.W.:
365.43