Compounds

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4876871

Name:
2-amino-6-chloro-9-(2-fluoro-4-methylbenzyl)-9H-purine-8-thiol

Mol. Formula:
C13H11ClFN5S

M.W.:
323.78

11 activity values

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4876733

Name:
2-amino-6-chloro-9-(2-chloro-5-(trifluoromethyl)benzyl)-9H-purine-8-thiol

Mol. Formula:
C13H8Cl2F3N5S

M.W.:
394.21

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4874124

Name:
2-Amino-4-chloro-7-(4-(trifluoromethyl)benzyl)-5,7-dihydro-6H-pyrrolo[2,3-dShow More⌵

Mol. Formula:
C14H10ClF3N4O

M.W.:
342.71

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4872173

Name:
2-amino-6-chloro-9-(4-(trifluoromethyl)benzyl)-9H-purine-8-thiol

Mol. Formula:
C13H9ClF3N5S

M.W.:
359.76

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4871630

Name:
2-Amino-4-chloro-7-(3,4-dichlorobenzyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimiShow More⌵

Mol. Formula:
C13H9BrClFN4O

M.W.:
371.60

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4870963

Name:
2-Amino-4-chloro-7-(2-chloro-5-(trifluoromethyl)benzyl)-5,7-dihydro-6H-pyrrShow More⌵

Mol. Formula:
C14H9Cl2F3N4O

M.W.:
377.15

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4870579

Name:
2-amino-9-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-6-chloro-9H-purine-8-thShow More⌵

Mol. Formula:
C13H9BrClN5O2S

M.W.:
414.67

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
88.08

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4870476

Name:
2-Amino-6-chloro-9-(3-chloro-4-fluorobenzyl)-9H-purin-8-ol

Mol. Formula:
C12H8Cl2FN5O

M.W.:
328.13

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4870087

Name:
2-Amino-7-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-4-chloro-5,7-dihydro-6HShow More⌵

Mol. Formula:
C14H10BrClN4O3

M.W.:
397.62

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
90.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4869481

Name:
2-Amino-9-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-6-chloro-9H-purin-8-ol

Mol. Formula:
C13H9BrClN5O3

M.W.:
398.60

7 activity values

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
108.31

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4867384

Name:
2-Amino-7-(benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-5,7-dihydro-6H-pyrrolo[Show More⌵

Mol. Formula:
C14H11ClN4O3

M.W.:
318.72

Type:
Unknown

AlogP:
1.53

Polar Surface Area:
90.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4866958

Name:
2-Amino-7-(4-bromo-2-fluorobenzyl)-4-chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyShow More⌵

Mol. Formula:
C13H9Cl3N4O

M.W.:
343.60

11 activity values

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4866835

Name:
6-Chloro-9-(3-chloro-4-fluorobenzyl)-9H-purine-2,8-diamine

Mol. Formula:
C12H9Cl2FN6

M.W.:
327.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4866705

Name:
2-Amino-9-(4-bromo-2-fluorobenzyl)-6-chloro-9H-purin-8-ol

Mol. Formula:
C12H8BrClFN5O

M.W.:
372.58

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4865186

Name:
2-amino-6-chloro-9-(2,3,6-trifluorobenzyl)-9H-purine-8-thiol

Mol. Formula:
C12H7ClF3N5S

M.W.:
345.74

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4864922

Name:
2-Amino-6-chloro-9-(3,4-dichlorobenzyl)-9H-purine-8-thiol

Mol. Formula:
C12H8Cl3N5S

M.W.:
360.66

12 activity values

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4864235

Name:
2-Amino-9-(4-bromo-2-fluorobenzyl)-6-chloro-9H-purine-8-thiol

Mol. Formula:
C12H8BrClFN5S

M.W.:
388.65