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ALA4878160 Name:
(7-(2-fluoro-4-(1H-pyrazol-1-yl)phenylamino)-1,6-n
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Mol. Formula:
C24H23FN6O
M.W.:
430.49
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
75.94
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4876976 Name:
(R)-1-(1-methylpiperidin-4-yl)-1-(7-((4-(methylsul
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Mol. Formula:
C23H28N4O3S
M.W.:
440.57
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
95.42
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4875691 Name:
[4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-phen
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Mol. Formula:
C23H27N5O4S2
M.W.:
501.63
Type:
Unknown
AlogP:
2.78
Polar Surface Area:
112.57
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4874874 Name:
(R)-3-((2-(1-hydroxy-1-(1-methylpiperidin-4-yl)eth
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Mol. Formula:
C23H27N5O2
M.W.:
405.50
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
104.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4869775 Name:
ethyl 3-(2-(piperidin-4-ylthio)-1,6-naphthyridin-7
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Mol. Formula:
C22H24N4O2S
M.W.:
408.53
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
76.14
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5286716 Name:
(S)-(2,7-dimethoxy-9-((pyrrolidin-3-ylmethyl)thio)
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Mol. Formula:
C21H24N2O3S
M.W.:
384.50
Type:
---
AlogP:
3.60
Polar Surface Area:
63.61
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5286520 Name:
4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2-fluoropheny
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Mol. Formula:
C24H24FN5OS
M.W.:
449.56
Type:
---
AlogP:
4.55
Polar Surface Area:
64.42
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5285332 Name:
N-(6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl)-1
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Mol. Formula:
C20H23N5O3S
M.W.:
413.50
Type:
---
AlogP:
2.25
Polar Surface Area:
97.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5284529 Name:
N-(1H-indazol-5-yl)-2-(phenylamino)thiazole-4-carb
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Mol. Formula:
C17H13N5OS
M.W.:
335.39
Type:
---
AlogP:
4.02
Polar Surface Area:
82.70
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5283849 Name:
Leucettinib LCTB-10
Mol. Formula:
C18H20N4OS
M.W.:
340.45
Type:
---
AlogP:
3.44
Polar Surface Area:
66.38
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5280761 Name:
6-((2,6-dichlorobenzyl)sulfonyl)-2-(4-hydroxy-3-ni
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Mol. Formula:
C22H14Cl2N2O6S2
M.W.:
537.40
Type:
---
AlogP:
5.67
Polar Surface Area:
126.61
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5279705 Name:
Aristolactam BIII
Mol. Formula:
C18H17NO4
M.W.:
311.34
Type:
---
AlogP:
2.31
Polar Surface Area:
56.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA5289681 Name:
1-isobutyl-N-(6-(1-methyl-1H-pyrazol-4-yl)isoquino
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Mol. Formula:
C23H29N5O
M.W.:
391.52
Type:
---
AlogP:
3.94
Polar Surface Area:
63.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5288595 Name:
N-(5-(5-methoxybenzo[d]thiazol-2-yl)pyridin-3-yl)a
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Mol. Formula:
C15H13N3O2S
M.W.:
299.36
Type:
---
AlogP:
3.33
Polar Surface Area:
64.11
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5288391 Name:
2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-(2-(6-(py
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Mol. Formula:
C29H31N5O2
M.W.:
481.60
Type:
---
AlogP:
3.87
Polar Surface Area:
70.81
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4791275 Name:
N-(3-Morpholinopropyl)-10-nitropyrido[3,4-g]quinaz
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Mol. Formula:
C18H20N6O3
M.W.:
368.40
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
106.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4861166 Name:
2-((1-methylpiperidin-4-yl)(7-(3-sulfamoylphenylam
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Mol. Formula:
C22H26N6O4S
M.W.:
470.56
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
141.75
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3735368 Name:
(3-(6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)imi
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Mol. Formula:
C27H29N7O2
M.W.:
483.58
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
79.10
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3734840 Name:
(4-(6-(4-methylpiperazin-1-yl)-3-(pyridin-4-yl)imi
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Mol. Formula:
C27H29N7O2
M.W.:
483.58
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
79.10
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3736271 Name:
6-(4-methylpiperazin-1-yl)-2-(5-phenylthien-2-yl)-
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Mol. Formula:
C26H24N6S
M.W.:
452.59
Type:
Small molecule
AlogP:
4.94
Polar Surface Area:
49.56
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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