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ALA5281169 Name:
Aminoxyrone
Mol. Formula:
C50H71N7O14
M.W.:
994.15
Type:
---
AlogP:
4.45
Polar Surface Area:
282.30
HBA:
14
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
32
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4789970 Name:
4-Isopropyl-N-(4-((2-(piperazin-1-yl)pyrimidin-4-y
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Mol. Formula:
C23H29ClN6O2S
M.W.:
489.05
Type:
Unknown
AlogP:
3.55
Polar Surface Area:
99.25
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4781610 Name:
4-Bromo-N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)am
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Mol. Formula:
C20H22BrClN6O2S
M.W.:
525.86
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
99.25
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
Type:
Small molecule
AlogP:
-1.48
Polar Surface Area:
155.52
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA1603087 Name:
SID24724299
Cas Number:
101832-73-9
Mol. Formula:
C10H12N2
M.W.:
160.22
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
41.81
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.57
DETAILS
CLOSE
ALA1602711 Name:
SID4255708
Cas Number:
6103-82-8
Mol. Formula:
C12H13NO2S2
M.W.:
267.38
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
39.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1601990 Name:
SID4256103
Cas Number:
457925-90-5
Mol. Formula:
C18H22N2O2
M.W.:
298.39
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA1601490 Name:
SID4241826
Mol. Formula:
C20H17N3O3
M.W.:
347.37
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
75.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1601286 Name:
SID24724338
Mol. Formula:
C16H17N5O4
M.W.:
343.34
Type:
Small molecule
AlogP:
0.31
Polar Surface Area:
92.31
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4547943 Name:
N-(5,6-dimethoxypyridin-2-yl)-5-methoxy-2,2-dimeth
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Mol. Formula:
C26H33N3O5
M.W.:
467.57
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
73.36
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4546567 Name:
N-(3,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-N-(
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Mol. Formula:
C24H30N2O5
M.W.:
426.51
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
69.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4550444 Name:
N-(2-fluoro-3,4-dimethoxyphenyl)-5-methoxy-N,2,2-t
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Mol. Formula:
C22H24FNO5
M.W.:
401.43
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
57.23
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4776423 Name:
4-Chloro-N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)a
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Mol. Formula:
C20H22Cl2N6O2S
M.W.:
481.41
Type:
Unknown
AlogP:
3.08
Polar Surface Area:
99.25
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4524610 Name:
N-(3-aminopropyl)-N-(5,6-dimethoxypyridin-2-yl)-5-
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Mol. Formula:
C23H29N3O5
M.W.:
427.50
Type:
Unknown
AlogP:
3.29
Polar Surface Area:
96.14
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4541006 Name:
N-(2-(benzyloxy)ethyl)-N-(3,4-dimethoxyphenyl)-5-m
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Mol. Formula:
C30H33NO6
M.W.:
503.60
Type:
Unknown
AlogP:
5.76
Polar Surface Area:
66.46
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4540960 Name:
N-(5,6-dimethoxypyridin-2-yl)-N-(3-fluorobenzyl)-5
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Mol. Formula:
C27H27FN2O5
M.W.:
478.52
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
70.12
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5268220 Name:
N-((3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)
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Mol. Formula:
C39H41FN4O6
M.W.:
680.78
Type:
---
AlogP:
5.46
Polar Surface Area:
116.96
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4755068 Name:
N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)amino)phen
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Mol. Formula:
C21H22ClF3N6O3S
M.W.:
530.96
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
108.48
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4754689 Name:
4N-[(2-amino-6-methyl-pyrimidin-4-yl)methyl]-4-[[(
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Mol. Formula:
C17H19N5O4S
M.W.:
389.44
Type:
Unknown
AlogP:
1.09
Polar Surface Area:
136.30
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4754663 Name:
3-(2-(4-methoxybenzamido)benzamido)propanoic acid
Mol. Formula:
C18H18N2O5
M.W.:
342.35
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
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