Compounds

Type:
---

AlogP:
1.73

Polar Surface Area:
104.87

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5207018

Name:
2-Amino-9-(4-((6-chloro-2-methoxyacridin-9-yl)amino)butyl)-1,9-dihydro-6H-pShow More⌵

Mol. Formula:
C23H22ClN7O2

M.W.:
463.93

5 activity values

Type:
---

AlogP:
3.96

Polar Surface Area:
123.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5195028

Name:
N-(4-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)butyl)phthalimide

Mol. Formula:
C24H22N6O3

M.W.:
442.48

6 activity values

Type:
---

AlogP:
3.06

Polar Surface Area:
116.23

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5171040

Name:
N-(4-(2-amino-6-phenoxy-9H-purin-9-yl)butyl)-6-chloro-2-methoxyacridin-9-amShow More⌵

Mol. Formula:
C29H26ClN7O2

M.W.:
540.03

6 activity values

Type:
---

AlogP:
6.46

Polar Surface Area:
113.00

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4530093

Name:
7-(benzyloxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Mol. Formula:
C12H11N5O

M.W.:
241.25

9 activity values

5 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
89.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4454794

Name:
1-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)-5-(chloromethyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C11H19ClN6O3

M.W.:
318.76

2 activity values

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
107.16

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3085510

Name:
(2-Amino-6-benzyloxy-purin-9-yl)-acetic acid 10,13-dimethyl-3-oxo-hexadecahShow More⌵

Mol. Formula:
C33H41N5O4

M.W.:
571.72

2 activity values

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
122.22

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2312288

Name:
4-((6-(Benzyloxy)-9H-purin-2-yl)diazenyl)-N,N-dimethylaniline

Mol. Formula:
C20H19N7O

M.W.:
373.42

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
91.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2312287

Name:
6-(Benzyloxy)-2-((4-(4-methylpiperazin-1-yl)phenyl)diazenyl)-9Hpurine

Mol. Formula:
C23H24N8O

M.W.:
428.50

2 activity values

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
94.89

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1683172

Name:
6-((4-bromothiophen-2-yl)methoxy)-5-nitropyrimidine-2,4-diamine

Mol. Formula:
C9H8BrN5O3S

M.W.:
346.17

1 activity values

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
130.19

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1683171

Name:
2-Amino-4-benzyloxy-6-[N-(4,4'-diaminobenzophenone)]-5-nitropyrimidine

Mol. Formula:
C24H20N6O4

M.W.:
456.46

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
159.29

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1683170

Name:
2-Amino-4-benzyloxy-6-[N-(4-(4-aminophenoxy)anilino)]-5-nitropyrimidine

Mol. Formula:
C23H20N6O4

M.W.:
444.45

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
151.45

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1683169

Name:
2-Amino-4-benzyloxy-6-[N-(4-(4-aminophenylamino)anilino)]-5-nitropyrimidine

Mol. Formula:
C23H21N7O3

M.W.:
443.47

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
154.25

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1683168

Name:
2-Amino-4-benzyloxy-6-[N-(4-(4-aminobenzyl)anilino)]-5-nitropyrimidine

Mol. Formula:
C24H22N6O3

M.W.:
442.48

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
142.22

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1683167

Name:
2-Amino-4-(4-bromothenyloxy)-6-[N-(4,4'-aminobenzophenone)]-5-nitropyrimidiShow More⌵

Mol. Formula:
C22H17BrN6O4S

M.W.:
541.39

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
159.29

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1683166

Name:
2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminophenoxy)anilino)]-5-nitropyrimShow More⌵

Mol. Formula:
C21H17BrN6O4S

M.W.:
529.38

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
151.45

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1683165

Name:
2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminophenylamino)anilino)]-5-nitropShow More⌵

Mol. Formula:
C21H18BrN7O3S

M.W.:
528.39

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
154.25

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1683164

Name:
2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminobenzyl)anilino)]-5-nitropyrimiShow More⌵

Mol. Formula:
C22H19BrN6O3S

M.W.:
527.40

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
142.22

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1683163

Name:
2-Amino-4-benzyloxy-6-morpholino-5-nitropyrimidine

Mol. Formula:
C15H17N5O4

M.W.:
331.33

1 activity values

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
116.64

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1683162

Name:
2-Amino-4-(4-bromothenyloxy)-6-morpholino-5-nitropyrimidine

Mol. Formula:
C13H14BrN5O4S

M.W.:
416.26

1 activity values