Compounds

ALA609533

Name:
5-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-4-hydroxy-2H-pyrazole-3-caShow More⌵

Mol. Formula:
C9H13N3O5

M.W.:
243.22

34 activity values

9 unique targets

Type:
Small molecule

AlogP:
-1.60

Polar Surface Area:
141.69

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA612171

Name:
3-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methyl-3,5-dihydrShow More⌵

Mol. Formula:
C13H15N5O5

M.W.:
321.29

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.30

Polar Surface Area:
138.16

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA612170

Name:
2-Amino-1-(2,2-diethoxy-ethyl)-9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-Show More⌵

Mol. Formula:
C16H25N5O7

M.W.:
399.40

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.81

Polar Surface Area:
167.11

HBA:
12

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA610656

Name:
3-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3,5-dihydro-1,3,4,5Show More⌵

Mol. Formula:
C12H13N5O5

M.W.:
307.27

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.60

Polar Surface Area:
138.16

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA122235

Name:
1,6-Dihydro-pyrimidine (DHPA)

Mol. Formula:
C4H6N2

M.W.:
82.11

19 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS

ALA307860

Name:
3-(2-Hydroxy-ethoxymethyl)-3,5-dihydro-1,3,4,5,7a-pentaaza-s-indacen-8-one

Mol. Formula:
C10H11N5O3

M.W.:
249.23

27 activity values

6 unique targets

Type:
Small molecule

AlogP:
-0.25

Polar Surface Area:
97.70

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA75918

Name:
2-Amino-1-(2,2-diethoxy-ethyl)-9-(2-hydroxy-ethoxymethyl)-1,9-dihydro-purinShow More⌵

Mol. Formula:
C14H23N5O5

M.W.:
341.37

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.46

Polar Surface Area:
126.65

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA307859

Name:
3-(2-Hydroxy-1-hydroxymethyl-ethoxymethyl)-3,5-dihydro-1,3,4,5,7a-pentaaza-Show More⌵

Mol. Formula:
C11H13N5O4

M.W.:
279.26

27 activity values

6 unique targets

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
117.93

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA310434

Name:
2-Amino-1-(2,2-diethoxy-ethyl)-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1Show More⌵

Mol. Formula:
C15H25N5O6

M.W.:
371.39

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.10

Polar Surface Area:
146.88

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA80150

Name:
3-(2-Hydroxy-1-hydroxymethyl-ethoxymethyl)-6-methyl-3,5-dihydro-1,3,4,5,7a-Show More⌵

Mol. Formula:
C12H15N5O4

M.W.:
293.28

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
117.93

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS