Compounds

Type:
---

AlogP:
2.26

Polar Surface Area:
114.25

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5208772

Name:
7-Benzyl-3-cyclopropyl-8-((6-methoxy-1H-benzo[d]imidazol-2-yl)methyl)-1H-puShow More⌵

Mol. Formula:
C24H22N6O3

M.W.:
442.48

Type:
---

AlogP:
2.75

Polar Surface Area:
110.59

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5208692

Name:
8-(1H-1,3-Benzodiazol-2-ylsulfanyl)-7-(furan-2-ylmethyl)-3-methyl-2,3,6,7-tShow More⌵

Mol. Formula:
C18H14N6O3S

M.W.:
394.42

Type:
---

AlogP:
2.09

Polar Surface Area:
114.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5208107

Name:
2-((7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl)-Show More⌵

Mol. Formula:
C20H16N6O5S2

M.W.:
484.52

Type:
---

AlogP:
1.75

Polar Surface Area:
155.73

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5206155

Name:
8-((6-Amino-1H-benzo[d]imidazol-2-yl)methyl)-7-benzyl-3-methyl-1H-purine-2,Show More⌵

Mol. Formula:
C21H19N7O2

M.W.:
401.43

Type:
---

AlogP:
1.52

Polar Surface Area:
127.38

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5205479

Name:
7-Benzyl-8-((5,6-dichloro-1H-1,3-benzodiazol-2-yl)sulfanyl)-3-methyl-2,3,6,Show More⌵

Mol. Formula:
C20H14Cl2N6O2S

M.W.:
473.35

Type:
---

AlogP:
3.81

Polar Surface Area:
101.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5204911

Name:
7-benzyl-3-methyl-8-((5-morpholino-1H-benzo[d]imidazol-2-yl)methyl)-3,7-dihShow More⌵

Mol. Formula:
C25H25N7O3

M.W.:
471.52

Type:
---

AlogP:
1.78

Polar Surface Area:
113.83

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5203888

Name:
8-((1H-Benzo(d)imidazol-2-yl)methyl)-7-benzyl-3-propyl-1H-purine-2,6(3H,7H)Show More⌵

Mol. Formula:
C23H22N6O2

M.W.:
414.47

Type:
---

AlogP:
2.81

Polar Surface Area:
101.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5200474

Name:
7-Benzyl-3-cyclopropyl-8-(5H-(1,3)dioxolo(4,5-f)benzimidazol-6-ylmethyl)purShow More⌵

Mol. Formula:
C24H20N6O4

M.W.:
456.46

Type:
---

AlogP:
2.47

Polar Surface Area:
119.82

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5198260

Name:
8-((6-(2-Hydroxyethoxy)-1H-benzo(d)imidazol-2-yl)methyl)-7-benzyl-3-cycloprShow More⌵

Mol. Formula:
C25H24N6O4

M.W.:
472.51

Type:
---

AlogP:
2.11

Polar Surface Area:
130.82

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5197055

Name:
7-benzyl-8-((5-hydroxy-1H-benzo[d]imidazol-2-yl)methyl)-3-propyl-3,7-dihydrShow More⌵

Mol. Formula:
C23H22N6O3

M.W.:
430.47

Type:
---

AlogP:
2.52

Polar Surface Area:
121.59

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5195911

Name:
8-(1H-1,3-Benzodiazol-2-ylsulfanyl)-3-methyl-7-((4-(morpholin-4-yl)phenyl)mShow More⌵

Mol. Formula:
C24H23N7O3S

M.W.:
489.56

Type:
---

AlogP:
2.34

Polar Surface Area:
113.83

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5195178

Name:
(2S)-2-Amino-4-(2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purinShow More⌵

Mol. Formula:
C25H24N8O5S

M.W.:
548.59

Type:
---

AlogP:
1.63

Polar Surface Area:
193.78

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5193102

Name:
8-(1H-1,3-Benzodiazol-2-ylsulfanyl)-3-methyl-7-((5-methyl-1,3,4-oxadiazol-2Show More⌵

Mol. Formula:
C17H14N8O3S

M.W.:
410.42

Type:
---

AlogP:
1.19

Polar Surface Area:
140.28

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5192356

Name:
7-Benzyl-8-(1H-1,3-benzodiazol-2-yl)sulfanyl-3-ethyl-2,3,6,7-tetrahydro-1H-Show More⌵

Mol. Formula:
C21H18N6O2S

M.W.:
418.48

Type:
---

AlogP:
2.98

Polar Surface Area:
101.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5191481

Name:
7-Benzyl-3-ethyl-8-(5H-(1,3)dioxolo(4,5-f)benzimidazol-6-ylmethyl)purine-2,Show More⌵

Mol. Formula:
C23H20N6O4

M.W.:
444.45

21 activity values

5 unique targets

Type:
---

AlogP:
2.15

Polar Surface Area:
119.82

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5190719

Name:
(2S)-2-Amino-3-(2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purinShow More⌵

Mol. Formula:
C24H22N8O5S

M.W.:
534.56

Type:
---

AlogP:
1.24

Polar Surface Area:
193.78

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5184845

Name:
2-((7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl)-Show More⌵

Mol. Formula:
C21H16N6O4S

M.W.:
448.46

Type:
---

AlogP:
2.20

Polar Surface Area:
138.66

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5183966

Name:
2-((7-benzyl-3-cyclopropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyShow More⌵

Mol. Formula:
C24H19N7O2

M.W.:
437.46

Type:
---

AlogP:
2.61

Polar Surface Area:
125.15

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5183954

Name:
Methyl-2-((7-benzyl-3-cyclopropyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yShow More⌵

Mol. Formula:
C25H22N6O4

M.W.:
470.49