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ALA4514560 Name:
5-(Benzo[d]thiazol-2-ylmethoxy)-N4-butylpyrimidine
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Mol. Formula:
C16H19N5OS
M.W.:
329.43
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
85.95
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4513967 Name:
N4-Butyl-5-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)pyr
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Mol. Formula:
C16H20N6O
M.W.:
312.38
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
90.36
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4483745 Name:
NA
Mol. Formula:
C42H46N8O7
M.W.:
774.88
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
196.05
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4476592 Name:
1-Isopentylimidazo[1,5-a]quinoxalin-4-amine
Mol. Formula:
C15H18N4
M.W.:
254.34
Type:
Unknown
AlogP:
3.05
Polar Surface Area:
56.21
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4475655 Name:
N4-Butyl-5-(pyrazin-2-ylmethoxy)pyrimidine-2,4-dia
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Mol. Formula:
C13H18N6O
M.W.:
274.33
Type:
Unknown
AlogP:
1.64
Polar Surface Area:
98.84
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4475558 Name:
1-(3-methoxypropyl)chromeno[3,4-d]imidazol-4(1H)-o
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Mol. Formula:
C14H14N2O3
M.W.:
258.28
Type:
Unknown
AlogP:
2.18
Polar Surface Area:
57.26
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4475425 Name:
N-{4-[3,5-Bis(trifluoromethyl)phenoxy]phenyl}-2-fl
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Mol. Formula:
C21H12F7NO3
M.W.:
459.32
Type:
Unknown
AlogP:
6.61
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4538611 Name:
N4-Butyl-5-isopropoxypyrimidine-2,4-diamine
Mol. Formula:
C11H20N4O
M.W.:
224.31
Type:
Unknown
AlogP:
2.06
Polar Surface Area:
73.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4538039 Name:
4-(((6-amino-9-benzyl-2-butoxy-9H-purin-8-yl)thio)
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Mol. Formula:
C24H24N6OS
M.W.:
444.56
Type:
Unknown
AlogP:
4.80
Polar Surface Area:
102.64
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4536911 Name:
9-benzyl-8-(benzylthio)-2-butoxy-9H-purin-6-amine
Mol. Formula:
C23H25N5OS
M.W.:
419.55
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
78.85
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4524791 Name:
1-isopropylchromeno[3,4-d]imidazol-4(1H)-one
Cas Number:
87236-19-9
Mol. Formula:
C13H12N2O2
M.W.:
228.25
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
48.03
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4524487 Name:
1-Ethyl-8-fluorochromeno[3,4-d]imidazol-4(1H)-one
Mol. Formula:
C12H9FN2O2
M.W.:
232.21
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
48.03
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4524477 Name:
4-[3,5-Bis(trifluoromethyl)phenoxy]-N-(2-chloro-6-
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Mol. Formula:
C21H11ClF7NO2
M.W.:
477.76
Type:
Unknown
AlogP:
7.56
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4519789 Name:
(3S)-3-((2-Amino-5-methoxypyrimidin-4-yl)amino)-4-
Show More⌵
Mol. Formula:
C12H22N4O2
M.W.:
254.33
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
93.29
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4535328 Name:
N4-Butyl-5-((2-methylthiazol-4-yl)methoxy)pyrimidi
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Mol. Formula:
C13H19N5OS
M.W.:
293.40
Type:
Unknown
AlogP:
2.61
Polar Surface Area:
85.95
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4533565 Name:
4-(2-(trifluoromethyl)quinazolin-4-yl)morpholine
Cas Number:
914219-13-9
Mol. Formula:
C13H12F3N3O
M.W.:
283.25
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
38.25
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4532249 Name:
Resiquimod
Mol. Formula:
C18H23N3O2
M.W.:
313.40
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
73.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4531839 Name:
5-Methoxy-N4-(4,4,4-trifluorobutyl)pyrimidine-2,4-
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Mol. Formula:
C9H13F3N4O
M.W.:
250.22
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
73.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
56.21
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4560728 Name:
N-(4-(3,5-Bis(trifluoromethyl)phenoxy)phenyl)-2,3,
Show More⌵
Mol. Formula:
C21H8F11NO2
M.W.:
515.28
Type:
Unknown
AlogP:
7.46
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
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