Compounds

Type:
Small molecule

AlogP:
-1.91

Polar Surface Area:
157.36

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3392182

Name:
2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyShow More⌵

Mol. Formula:
C16H25IN6O5S

M.W.:
540.38

7 activity values

Type:
Small molecule

AlogP:
-1.53

Polar Surface Area:
182.63

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3392141

Name:
2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-amino-purin-9-yl)-tetrahydrShow More⌵

Mol. Formula:
C14H25Cl2N7O3

M.W.:
410.31

7 activity values

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
148.57

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1202794

Name:
4-Amidino-6-acetylpyridine 2'-Amidinohydrazone dihydrochloride

Mol. Formula:
C9H15Cl2N7

M.W.:
292.17

Type:
Small molecule

AlogP:
-0.64

Polar Surface Area:
139.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

Sardomozide dihydrochloride

Name:
4-Amidinoindan-1-one 2'-Amidinohydrazone Dihydrochloride

Mol. Formula:
C11H16Cl2N6

M.W.:
303.20

Type:
Small molecule

AlogP:
-0.11

Polar Surface Area:
126.63

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1202792

Name:
2-Amidino-6-acetylpyridine 2'-Amidinohydrazone dihydrochloride

Mol. Formula:
C9H15Cl2N7

M.W.:
292.17

Type:
Small molecule

AlogP:
-0.64

Polar Surface Area:
139.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1088977

Name:
2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyShow More⌵

Mol. Formula:
C15H22N6O5S

M.W.:
398.45

Type:
Small molecule

AlogP:
-3.26

Polar Surface Area:
185.46

HBA:
11

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA611902

Name:
3-{[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyShow More⌵

Mol. Formula:
C14H19N7O3

M.W.:
333.35

Type:
Small molecule

AlogP:
-1.13

Polar Surface Area:
146.34

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA611588

Name:
N-[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-guanidShow More⌵

Mol. Formula:
C11H16N8O3

M.W.:
308.30

Type:
Small molecule

AlogP:
-2.49

Polar Surface Area:
181.21

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA610704

Name:
2-[(3-Amino-propylamino)-methyl]-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,Show More⌵

Mol. Formula:
C13H21N7O3

M.W.:
323.36

Type:
Small molecule

AlogP:
-2.03

Polar Surface Area:
157.36

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA610142

Name:
2-(6-Amino-purin-9-yl)-5-[(3-methylamino-propylamino)-methyl]-tetrahydro-fuShow More⌵

Mol. Formula:
C14H23N7O3

M.W.:
337.38

Type:
Small molecule

AlogP:
-1.77

Polar Surface Area:
143.37

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA610141

Name:
2-[(2-Amino-ethylamino)-methyl]-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4Show More⌵

Mol. Formula:
C12H19N7O3

M.W.:
309.33

Type:
Small molecule

AlogP:
-2.42

Polar Surface Area:
157.36

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA604606

Name:
2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-amino-purin-9-yl)-tetrahydrShow More⌵

Mol. Formula:
C14H23N7O3

M.W.:
337.38

7 activity values

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
148.57

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA538110

Name:
(3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yShow More⌵

Mol. Formula:
C14H23BrN6O3S

M.W.:
435.35

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
145.33

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA540135

Name:
[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-dimethylShow More⌵

Mol. Formula:
C12H18IN5O3S

M.W.:
439.28

3 unique targets

Type:
Small molecule

AlogP:
-1.09

Polar Surface Area:
119.31

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

Mitoguazone

Name:
(2E)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}-1-methylethylidene)hydraShow More⌵

Mol. Formula:
C5H12N8

M.W.:
184.21

98 activity values

18 unique targets

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
148.52

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA191400

Name:
(2Z)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}-1-methylethylidene)hydraShow More⌵

Mol. Formula:
C5H12N8

M.W.:
184.21

16 activity values

5 unique targets

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
148.52

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA151222

Name:
4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-carboximidamide

Mol. Formula:
C12H12N6

M.W.:
240.27

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
125.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA151197

Name:
2,2'-bipyridine-6,6'-dicarboximidamide

Mol. Formula:
C12H12N6

M.W.:
240.27

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
125.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA151196

Name:
(2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}propylidene)hydrazinecarboximidShow More⌵

Mol. Formula:
C11H16N6

M.W.:
232.29