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ALA5273111 Name:
1-(but-2-en-1-yl)-3-(8-(7-imino-9-oxo-6,7,8,9,11,1
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Mol. Formula:
C32H47N7O2
M.W.:
561.78
Type:
---
AlogP:
5.28
Polar Surface Area:
125.36
HBA:
4
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5271301 Name:
N-(4-chlorophenyl)-8-hydroxyquinoline-5-sulfonamid
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Mol. Formula:
C15H11ClN2O3S
M.W.:
334.78
Type:
---
AlogP:
3.39
Polar Surface Area:
79.29
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4170619 Name:
3-chloro-N-(4-(5-(4-methoxyphenyl)-4,5-dihydroisox
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Mol. Formula:
C25H20ClN3O3
M.W.:
445.91
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
75.71
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4168856 Name:
2-(3-chlorobenzo[b]thiophen-2-yl)-3-(4-fluoropheny
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Mol. Formula:
C22H12ClFN2OS
M.W.:
406.87
Type:
Small molecule
AlogP:
6.06
Polar Surface Area:
34.89
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4163780 Name:
2-(3-chlorobenzo[b]thiophen-2-yl)-3-(4-nitrophenyl
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Mol. Formula:
C22H12ClN3O3S
M.W.:
433.88
Type:
Small molecule
AlogP:
5.83
Polar Surface Area:
78.03
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4098548 Name:
2,6-Di-tert-butyl-4-[(E)-2-(4-dimethylamino-phenyl
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Mol. Formula:
C23H32ClNO5
M.W.:
437.96
Type:
Small molecule
AlogP:
6.39
Polar Surface Area:
14.54
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3310268 Name:
6,7-bis(3-(1H-benzo[d]imidazol-1-yl)-2-hydroxyprop
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Mol. Formula:
C30H28N4O6
M.W.:
540.58
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
124.77
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3099079 Name:
(Z)-1-(4-Fluoro-2-(pyrrolidin-1-yl)phenyl)-3-pheny
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Mol. Formula:
C21H19FN4O
M.W.:
362.41
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
51.02
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3099075 Name:
(Z)-1-(2,4-Difluorophenyl)-3-(4-methoxyphenyl)-2-(
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Mol. Formula:
C18H13F2N3O2
M.W.:
341.32
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
57.01
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3099070 Name:
(Z)-1,3-Bis(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-
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Mol. Formula:
C17H11Cl2N3O
M.W.:
344.20
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3099068 Name:
(Z)-1-(3,4-Dimethylphenyl)-3-phenyl-2-(1H-1,2,4-tr
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Mol. Formula:
C19H17N3O
M.W.:
303.37
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3099067 Name:
(Z)-1-(2,4-Dimethylphenyl)-3-phenyl-2-(1H-1,2,4-tr
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Mol. Formula:
C19H17N3O
M.W.:
303.37
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2401888 Name:
2-Bromo-N-(2,4-difluorobenzyl)-N-[2-(5-nitro-1Himi
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Mol. Formula:
C14H15BrF2N4O2
M.W.:
389.20
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2401887 Name:
2-Bromo-N-(4-chlorobenzyl)-N-[2-(4-nitro-1H-imidaz
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Mol. Formula:
C14H16BrClN4O2
M.W.:
387.67
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2401886 Name:
2-Bromo-N-(3-chlorobenzyl)-N-[2-(4-nitro-1H-imidaz
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Mol. Formula:
C14H16BrClN4O2
M.W.:
387.67
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2401885 Name:
2-Bromo-N-(2-chlorobenzyl)-N-[2-(4-nitro-1H-imidaz
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Mol. Formula:
C14H16BrClN4O2
M.W.:
387.67
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2401884 Name:
2-Bromo-N-(3,4-dichlorobenzyl)-N-[2-(4-nitro-1Himi
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Mol. Formula:
C14H15BrCl2N4O2
M.W.:
422.11
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2401883 Name:
2-Bromo-N-(2,4-difluorobenzyl)-N-[2-(4-nitro-1Himi
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Mol. Formula:
C14H15BrF2N4O2
M.W.:
389.20
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2401882 Name:
2-Bromo-N-(2,4-difluorobenzyl)-N-[2-(2-methyl-5-ni
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Mol. Formula:
C15H17BrF2N4O2
M.W.:
403.23
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2401870 Name:
2-Bromo-N-(4-chlorobenzyl)-N-[2-(5-nitro-1H-imidaz
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Mol. Formula:
C14H16BrClN4O2
M.W.:
387.67
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
64.20
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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