Compounds

ALA3665114

Name:
US8618075, 3a

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665113

Name:
US8618075, 2b

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665112

Name:
US8618075, 1b

Mol. Formula:
C9H14F2N2O5

M.W.:
268.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.57

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3665111

Name:
US8618075, 3

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665110

Name:
US8618075, 2

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665109

Name:
US8618075, 3b

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665108

Name:
US8618075, 1

Mol. Formula:
C9H14F2N2O5

M.W.:
268.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.57

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3665107

Name:
US8618075, 2a

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3665106

Name:
US8618075, 1a

Mol. Formula:
C9H14F2N2O5

M.W.:
268.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.57

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3658873

Name:
US9040501, 878895

Mol. Formula:
C10H15FN2O4

M.W.:
246.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.02

Polar Surface Area:
82.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3658872

Name:
US9040501, 878519

Mol. Formula:
C10H14F2N2O4

M.W.:
264.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.72

Polar Surface Area:
82.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3658871

Name:
US9040501, 876400

Mol. Formula:
C10H16N2O5

M.W.:
244.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.99

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3658870

Name:
US9040501, 876437

Mol. Formula:
C10H14F2N2O4

M.W.:
264.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.72

Polar Surface Area:
82.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3350550

Name:
4-Amino-1-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-ethynyl-1H-pyrimShow More⌵

Mol. Formula:
C11H13N3O4

M.W.:
251.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.55

Polar Surface Area:
110.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3350549

Name:
4-Amino-1-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidiShow More⌵

Mol. Formula:
C9H12IN3O4

M.W.:
353.12

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.93

Polar Surface Area:
110.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3350548

Name:
4-Amino-1-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-vinyl-1H-pyrimidShow More⌵

Mol. Formula:
C11H15N3O4

M.W.:
253.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
110.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

5'-Deoxy-5-fluorocytidine

Name:
4-Amino-1-(3,4-dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimiShow More⌵

Mol. Formula:
C9H12FN3O4

M.W.:
245.21

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.40

Polar Surface Area:
110.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3237554

Name:
1-(2-Deoxy-2-fluoro-beta-D-ribofuranosyl)tetrahydro-2(1H)-pyrimidinone

Mol. Formula:
C9H15FN2O4

M.W.:
234.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.18

Polar Surface Area:
82.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3237553

Name:
1-(2-Deoxy-2,2-difluoro-beta-D-erythro-pentofuranosyl)tetrahydro-2(1H)-pyriShow More⌵

Mol. Formula:
C9H14F2N2O4

M.W.:
252.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
82.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3237552

Name:
(4S)-1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)tetrahydro-4-hydroxy-2(1H)Show More⌵

Mol. Formula:
C9H15FN2O5

M.W.:
250.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
102.26

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS