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ALA4098145 Name:
Ethyl 3-[2-(2-{1-(4-fluorophenyl)ethylidene}hydraz
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Mol. Formula:
C25H26FN5O6
M.W.:
511.51
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
143.24
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4096855 Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(5-{ph
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Mol. Formula:
C24H24N6O6
M.W.:
492.49
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
152.73
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4095935 Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(2-{ph
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Mol. Formula:
C24H26N6O6S
M.W.:
526.58
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
154.94
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4095637 Name:
Ethyl 3-[3-(2-(methoxyethoxy)carbonyl)ethyl]-6-met
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Mol. Formula:
C20H25N3O8
M.W.:
435.43
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
137.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4094921 Name:
3-[5-(Ethoxycarbonyl)-4-methyl-6-(3-nitrophenyl)-2
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Mol. Formula:
C17H19N3O7
M.W.:
377.35
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
139.08
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4103790 Name:
Ethyl 3-(2-cyanoethyl)-6-methyl-4-(3-nitrophenyl)-
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Mol. Formula:
C17H18N4O5
M.W.:
358.35
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
125.57
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4103388 Name:
Ethyl 3-[2-(propyn-3-yl-oxycarbonyl)ethyl]-6-methy
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Mol. Formula:
C20H21N3O7
M.W.:
415.40
Type:
Small molecule
AlogP:
2.06
Polar Surface Area:
128.08
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4103317 Name:
Ethyl 3-[2-{(2,2-diphenylethyl)aminocarbonyl}ethyl
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Mol. Formula:
C31H32N4O6
M.W.:
556.62
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
130.88
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4092868 Name:
Ethyl 3-[2-(2-{4-ethoxy-4-oxobutan-2-ylidene}hydra
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Mol. Formula:
C23H29N5O8
M.W.:
503.51
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
169.54
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4088201 Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(2-{2-
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Mol. Formula:
C25H24N6O7
M.W.:
520.50
Type:
Small molecule
AlogP:
2.36
Polar Surface Area:
172.34
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4087415 Name:
Ethyl 3-[2-(aminocarbonyl)ethyl]-6-methyl-4-(3-nit
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Mol. Formula:
C17H20N4O6
M.W.:
376.37
Type:
Small molecule
AlogP:
1.37
Polar Surface Area:
144.87
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4085386 Name:
Ethyl 3-[2-{benzyl(methyl)aminocarbonyl}ethyl]-6-m
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Mol. Formula:
C25H28N4O6
M.W.:
480.52
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
122.09
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4084433 Name:
Ethyl 3-[2-(ethoxycarbonyl)ethyl]-6-methyl-4-(3-ni
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Mol. Formula:
C19H23N3O7
M.W.:
405.41
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
128.08
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4090430 Name:
Ethyl 3-[2-(2-{2,2-diphenylethylidene}hydrazinylca
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Mol. Formula:
C31H31N5O6
M.W.:
569.62
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
143.24
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4089516 Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(2-{3-
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Mol. Formula:
C26H27N5O6
M.W.:
505.53
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
143.24
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4073754 Name:
Acetic N',N'-diacetyl-3-[5-(ethoxycarbonyl)-4-meth
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Mol. Formula:
C23H27N5O9
M.W.:
517.50
Type:
Small molecule
AlogP:
2.16
Polar Surface Area:
177.82
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4072111 Name:
Ethyl 3-[2-(2-{4,4-diphenylbutan-2-ylidene}hydrazi
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Mol. Formula:
C33H35N5O6
M.W.:
597.67
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
143.24
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4071086 Name:
Ethyl 3-[2-(2-{1,1-diphenylpropan-2-ylidene}hydraz
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Mol. Formula:
C32H33N5O6
M.W.:
583.65
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
143.24
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4069634 Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(5-{ph
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Mol. Formula:
C24H24N6O5S
M.W.:
508.56
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
139.59
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4062752 Name:
Ethyl 3-[2-(methoxycarbonyl)ethyl]-6-methyl-4-(3-n
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Mol. Formula:
C18H21N3O7
M.W.:
391.38
Type:
Small molecule
AlogP:
2.06
Polar Surface Area:
128.08
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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