Compounds

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
105.24

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3644489

Name:
US8853224, 27

Mol. Formula:
C12H18N4O3S

M.W.:
298.37

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
114.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3644486

Name:
US8853224, 24

Mol. Formula:
C12H18N4O3S

M.W.:
298.37

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
114.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3644485

Name:
US8853224, 22

Mol. Formula:
C12H18N4O4

M.W.:
282.30

Type:
Small molecule

AlogP:
-1.70

Polar Surface Area:
134.26

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3644484

Name:
US8853224, 3.4

Mol. Formula:
C17H20N4O3

M.W.:
328.37

Type:
Small molecule

AlogP:
0.61

Polar Surface Area:
105.24

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1277898

Name:
5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl)pyrimidine-2,4,6(1H,3H,5Show More⌵

Mol. Formula:
C21H22N2O6

M.W.:
398.42

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
105.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1275721

Name:
3-((2-(l-Prolinol)-1-yl)-ethyl)uracil

Mol. Formula:
C11H17N3O3

M.W.:
239.27

Type:
Small molecule

AlogP:
-1.01

Polar Surface Area:
78.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1275720

Name:
3-((2-Pyrrolidine-1-yl)-ethyl)uracil

Mol. Formula:
C10H15N3O2

M.W.:
209.25

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
58.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1275719

Name:
1-((4-(l-Prolinol)-1-yl)-butyl)uracil

Mol. Formula:
C13H21N3O3

M.W.:
267.33

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
78.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1275702

Name:
1-((4-Pyrrolidine-1-yl)-butyl)uracil

Mol. Formula:
C12H19N3O2

M.W.:
237.30

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
58.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1275701

Name:
1-((3-(l-Prolinol)-1-yl)-propyl)uracil

Mol. Formula:
C12H19N3O3

M.W.:
253.30

Type:
Small molecule

AlogP:
-0.62

Polar Surface Area:
78.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1275700

Name:
1-((3-Pyrrolidine-1-yl)-propyl)uracil

Mol. Formula:
C11H17N3O2

M.W.:
223.28

Type:
Small molecule

AlogP:
0.02

Polar Surface Area:
58.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1275699

Name:
1-((2-Pyrrolidine-1-yl)-ethyl)uracil

Mol. Formula:
C10H15N3O2

M.W.:
209.25

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
58.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1275661

Name:
5-benzylpyrimidine-2,4,6(1H,3H,5H)-trione

Mol. Formula:
C11H10N2O3

M.W.:
218.21

Type:
Small molecule

AlogP:
0.21

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1275659

Name:
5'-methylthio-immucillin-H

Mol. Formula:
C11H14N4O3S

M.W.:
282.33

3 unique targets

Type:
Small molecule

AlogP:
-0.69

Polar Surface Area:
114.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA454743

Name:
7-(((3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3Show More⌵

Mol. Formula:
C12H16N4O3

M.W.:
264.29

8 activity values