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ALA1086155 Name:
aphrocallistin
Mol. Formula:
C20H24Br2N6O2
M.W.:
540.26
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
85.17
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3736436 Name:
(3Z)-N-(2-oxo-3-((1H-imidazol-5yl)methylene)indoli
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Mol. Formula:
C13H12N4O3S
M.W.:
304.33
Type:
Small molecule
AlogP:
1.27
Polar Surface Area:
103.95
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3735600 Name:
(3E)-N-(2-oxo-(3-(1-methyl-1H-imidazol-2yl)methyle
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Mol. Formula:
C14H14N4O3S
M.W.:
318.36
Type:
Small molecule
AlogP:
1.28
Polar Surface Area:
93.09
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3734965 Name:
(3Z)-3-(1-(1H-imidazol-5-yl)-ethylidene)-N-(3,4-di
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Mol. Formula:
C21H20N4O5S
M.W.:
440.48
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
122.41
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3736452 Name:
(3E)-N-(3,4-dimethoxybenzyl)-3-((1-methyl-1H-imida
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Mol. Formula:
C22H22N4O5S
M.W.:
454.51
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
111.55
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3735454 Name:
(3Z)-N-(3,4-dimethoxybenzyl)-2-oxo-3-(thiophen-2-y
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Mol. Formula:
C22H20N2O5S2
M.W.:
456.55
Type:
Small molecule
AlogP:
3.74
Polar Surface Area:
93.73
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3735957 Name:
(3Z)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-((1H
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Mol. Formula:
C20H17N5O4S
M.W.:
423.45
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
133.05
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3735019 Name:
(3E)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-((1-
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Mol. Formula:
C21H19N5O4S
M.W.:
437.48
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
122.19
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3735845 Name:
(3Z)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-(thi
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Mol. Formula:
C21H17N3O4S2
M.W.:
439.52
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
104.37
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3734782 Name:
(3Z)-N-(4-(methylthio)phenyl)-N'-(2-oxo-(3-(1H-imi
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Mol. Formula:
C20H17N5O2S
M.W.:
391.46
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
98.91
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3736265 Name:
(3E)-N-(4-(methylthio)phenyl)-N'-(2-oxo-(3-(1-meth
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Mol. Formula:
C21H19N5O2S
M.W.:
405.48
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
88.05
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3734883 Name:
(Z)-N-(4-(methylthio)phenyl)-N'-(2-oxo-3-(thiophen
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Mol. Formula:
C21H17N3O2S2
M.W.:
407.52
Type:
Small molecule
AlogP:
5.61
Polar Surface Area:
70.23
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3736236 Name:
(3Z)-2-((3,4-dimethoxybenzyl)amino)-N-(2-oxo-3-(th
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Mol. Formula:
C24H23N3O4S
M.W.:
449.53
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
88.69
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5208895 Name:
4'-(2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-
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Mol. Formula:
C48H51ClN8O4S
M.W.:
871.51
Type:
---
AlogP:
9.04
Polar Surface Area:
146.60
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5208813 Name:
Mol. Formula:
C37H59NO6
M.W.:
613.88
Type:
---
AlogP:
7.89
Polar Surface Area:
94.09
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5205294 Name:
Mol. Formula:
C38H64BrO4P
M.W.:
695.80
Type:
---
AlogP:
9.51
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5204750 Name:
Mol. Formula:
C56H100BrO4P
M.W.:
948.29
Type:
---
AlogP:
16.53
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5204260 Name:
N'-((9-butyl-9H-carbazol-3-yl)methylene)isonicotin
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Mol. Formula:
C23H22N4O
M.W.:
370.46
Type:
---
AlogP:
4.75
Polar Surface Area:
59.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5203048 Name:
N'-((9-hexyl-9H-carbazol-3-yl)methylene)isonicotin
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Mol. Formula:
C25H26N4O
M.W.:
398.51
Type:
---
AlogP:
5.53
Polar Surface Area:
59.28
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5201607 Name:
Mol. Formula:
C35H58BrO4P
M.W.:
653.72
Type:
---
AlogP:
8.34
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
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