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ALA4527207 Name:
5-iodo-6-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3
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Mol. Formula:
C10H14IN3O2
M.W.:
335.15
Type:
Unknown
AlogP:
0.65
Polar Surface Area:
68.96
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4579188 Name:
5-bromo-6-(((1,3-dihydroxypropan-2-yl)amino)methyl
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Mol. Formula:
C8H12BrN3O4
M.W.:
294.11
Type:
Unknown
AlogP:
-1.73
Polar Surface Area:
118.21
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4579033 Name:
5-iodo-6-(morpholinomethyl)pyrimidine-2,4(1H,3H)-d
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Mol. Formula:
C9H12IN3O3
M.W.:
337.12
Type:
Unknown
AlogP:
-0.50
Polar Surface Area:
78.19
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4582134 Name:
6-((dipropylamino)methyl)-5-iodopyrimidine-2,4(1H,
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Mol. Formula:
C11H18IN3O2
M.W.:
351.19
Type:
Unknown
AlogP:
1.29
Polar Surface Area:
68.96
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5282306 Name:
2-((5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)a
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Mol. Formula:
C10H8N4O4S
M.W.:
280.27
Type:
---
AlogP:
1.56
Polar Surface Area:
122.01
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5280134 Name:
2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)
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Mol. Formula:
C11H10ClN3O2S
M.W.:
283.74
Type:
---
AlogP:
2.69
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5284678 Name:
2-((5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)
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Mol. Formula:
C11H10ClN3O2S
M.W.:
283.74
Type:
---
AlogP:
2.69
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4468378 Name:
6-(((2-hydroxyethyl)amino)methyl)-5-iodopyrimidine
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Mol. Formula:
C7H10IN3O3
M.W.:
311.08
Type:
Unknown
AlogP:
-1.25
Polar Surface Area:
97.98
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4464628 Name:
5-bromo-6-(((2,3-dihydroxypropyl)amino)methyl)pyri
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Mol. Formula:
C8H12BrN3O4
M.W.:
294.11
Type:
Unknown
AlogP:
-1.73
Polar Surface Area:
118.21
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4472112 Name:
6-(((2,3-dihydroxypropyl)amino)methyl)-5-iodopyrim
Show More⌵
Mol. Formula:
C8H12IN3O4
M.W.:
341.11
Type:
Unknown
AlogP:
-1.89
Polar Surface Area:
118.21
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4469338 Name:
5-chloro-6-(((1,3-dihydroxypropan-2-yl)amino)methy
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Mol. Formula:
C8H12ClN3O4
M.W.:
249.65
Type:
Unknown
AlogP:
-1.84
Polar Surface Area:
118.21
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4542724 Name:
5-iodo-6-((piperidin-1-ylamino)methyl)pyrimidine-2
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Mol. Formula:
C11H16IN3O2
M.W.:
349.17
Type:
Unknown
AlogP:
1.09
Polar Surface Area:
77.75
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5273439 Name:
2-((5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)
Show More⌵
Mol. Formula:
C10H8ClN3O2S
M.W.:
269.71
Type:
---
AlogP:
2.30
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5272184 Name:
2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)
Show More⌵
Mol. Formula:
C10H8ClN3O2S
M.W.:
269.71
Type:
---
AlogP:
2.30
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4455140 Name:
6-(((1,3-Dihydroxypropan-2-yl)amino)methyl)-5-iodo
Show More⌵
Mol. Formula:
C8H12IN3O4
M.W.:
341.11
Type:
Unknown
AlogP:
-1.89
Polar Surface Area:
118.21
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4445259 Name:
5-bromo-6-(((2-hydroxyethyl)amino)methyl)pyrimidin
Show More⌵
Mol. Formula:
C7H10BrN3O3
M.W.:
264.08
Type:
Unknown
AlogP:
-1.09
Polar Surface Area:
97.98
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4439474 Name:
5-chloro-6-(((2-hydroxyethyl)amino)methyl)pyrimidi
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Mol. Formula:
C7H10ClN3O3
M.W.:
219.63
Type:
Unknown
AlogP:
-1.20
Polar Surface Area:
97.98
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4438928 Name:
6-((dimethylamino)methyl)-5-iodopyrimidine-2,4(1H,
Show More⌵
Mol. Formula:
C7H10IN3O2
M.W.:
295.08
Type:
Unknown
AlogP:
-0.27
Polar Surface Area:
68.96
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4435521 Name:
6-(((2,3-dihydroxypropyl)(methyl)amino)methyl)-5-i
Show More⌵
Mol. Formula:
C9H14IN3O4
M.W.:
355.13
Type:
Unknown
AlogP:
-1.55
Polar Surface Area:
109.42
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4294814 Name:
(E)-1-((hydroxyimino)(4-methoxyphenyl)methyl)-5-io
Show More⌵
Mol. Formula:
C12H10IN3O4
M.W.:
387.13
Type:
Small molecule
AlogP:
0.83
Polar Surface Area:
96.68
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
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