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ALA4779454 Name:
3-(5-(2-oxoindolin-5-yl)-1H-pyrazol-1-yl)benzonitr
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Mol. Formula:
C18H12N4O
M.W.:
300.32
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
70.71
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4784663 Name:
5-(1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl)indolin-
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Mol. Formula:
C17H11Cl2N3O
M.W.:
344.20
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4784019 Name:
5-(2,2'-bithiophen-5-yl)-3-((4-((2-(diethylamino)e
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Mol. Formula:
C30H34N4OS2
M.W.:
530.76
Type:
Unknown
AlogP:
7.01
Polar Surface Area:
60.16
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4782977 Name:
N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-oxo-5
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Mol. Formula:
C32H33N3O2S2
M.W.:
555.77
Type:
Unknown
AlogP:
7.32
Polar Surface Area:
61.44
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4795138 Name:
3-((4-((2-(diethylamino)ethylamino)methyl)-3,5-dim
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Mol. Formula:
C31H35N5OS
M.W.:
525.72
Type:
Unknown
AlogP:
6.35
Polar Surface Area:
73.05
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4793941 Name:
N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-oxo-6
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Mol. Formula:
C30H32N6O3
M.W.:
524.63
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
122.98
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5280826 Name:
(3S,3'R,4'S,5'R)-5'-benzyl-5''-((E)-benzylidene)-4
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Mol. Formula:
C43H37N3O2
M.W.:
627.79
Type:
---
AlogP:
7.46
Polar Surface Area:
61.44
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4797781 Name:
NA
Mol. Formula:
C67H72N8O9
M.W.:
1133.36
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3747014 Name:
2-(5-(2-(1-(2-Methoxyethyl)-1H-indol-3-yl)-2-oxoac
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Mol. Formula:
C20H19N3O6
M.W.:
397.39
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
119.75
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3746311 Name:
Ethyl 2-(5-(2-(1-(2-methoxyethyl)-1H-indol-3-yl)-2
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Mol. Formula:
C22H23N3O6
M.W.:
425.44
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
108.75
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3746300 Name:
3-(3-(2-(6-Methoxypyridin-3-ylamino)-2-oxoacetyl)-
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Mol. Formula:
C19H17N3O5
M.W.:
367.36
Type:
Small molecule
AlogP:
2.34
Polar Surface Area:
110.52
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3746719 Name:
Methyl 3-(3-(2-(6-methoxypyridin-3-ylamino)-2-oxoa
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Mol. Formula:
C20H19N3O5
M.W.:
381.39
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
99.52
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3746781 Name:
2-(2-(3-(2-(6-Methoxypyridin-3-ylamino)-2-oxoacety
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Mol. Formula:
C22H23N3O6
M.W.:
425.44
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
119.75
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3746106 Name:
N-(6-tert-Butoxypyridin-3-yl)-2-(1-(2-methoxyethyl
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Mol. Formula:
C22H25N3O4
M.W.:
395.46
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
82.45
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3747282 Name:
2-(3-(2-Methoxyethyl)indolizin-1-yl)-2-oxo-N-(4-(t
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Mol. Formula:
C20H17F3N2O4
M.W.:
406.36
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
69.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3745840 Name:
2-(3-Ethylindolizin-1-yl)-N-(6-methoxypyridin-3-yl
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Mol. Formula:
C18H17N3O3
M.W.:
323.35
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
72.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3746996 Name:
2-(1-(2-Methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-y
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Mol. Formula:
C18H18N4O4
M.W.:
354.37
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
95.34
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3747204 Name:
2-(1-Isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(6
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Mol. Formula:
C18H18N4O3
M.W.:
338.37
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
86.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3747772 Name:
2-(1-Isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-(6
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Mol. Formula:
C18H18N4O3
M.W.:
338.37
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
86.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3747746 Name:
2-(1-Isopropyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-N-(6
Show More⌵
Mol. Formula:
C18H18N4O3
M.W.:
338.37
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
86.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
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