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ALA4879248 Name:
(E)-N-(5-cyano-1-((E)-4-((E)-5-cyano-2-(1-ethyl-3-
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Mol. Formula:
C42H47N13O5
M.W.:
813.92
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
214.45
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4879052 Name:
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimin
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Mol. Formula:
C38H38N14O5
M.W.:
770.81
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
242.97
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4878997 Name:
(E)-1-ethyl-N-(1-((E)-4-((E)-2-(1-ethyl-3-methyl-1
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Mol. Formula:
C46H53N15O5
M.W.:
896.03
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
224.23
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4877139 Name:
(E)-1-(4-(5-carbamoyl-2-(2-(1-ethyl-3-methyl-1H-py
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Mol. Formula:
C44H57N11O5
M.W.:
820.01
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
188.39
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4876383 Name:
4-(5-carbamoyl-1-((E)-4-((E)-5-carbamoyl-2-(1-ethy
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Mol. Formula:
C39H46N10O9
M.W.:
798.86
Type:
Unknown
AlogP:
2.20
Polar Surface Area:
257.27
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
251.53
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4876271 Name:
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimin
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Mol. Formula:
C44H52N14O6
M.W.:
872.99
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
238.64
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4875106 Name:
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimin
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Mol. Formula:
C43H51N15O6
M.W.:
873.98
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
251.53
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4874665 Name:
(E)-1-ethyl-N-(1-((E)-4-((E)-2-(1-ethyl-3-methyl-1
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Mol. Formula:
C44H51N17O5
M.W.:
898.01
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
250.01
HBA:
16
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4873707 Name:
1-((E)-4-(5-carbamoyl-2-((E)-2-(1-ethyl-3-methyl-1
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Mol. Formula:
C44H53N11O5
M.W.:
815.98
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
188.39
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4871805 Name:
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimin
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Mol. Formula:
C44H53N15O6
M.W.:
888.01
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
251.53
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4871204 Name:
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimin
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Mol. Formula:
C45H55N15O6
M.W.:
902.03
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
251.53
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4870056 Name:
(E)-4-(5-carbamoyl-1-(4-(5-carbamoyl-2-(3-carboxyp
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Mol. Formula:
C36H41N7O11
M.W.:
747.76
Type:
Unknown
AlogP:
2.04
Polar Surface Area:
261.49
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5287243 Name:
Mol. Formula:
C20H28N10O14P2
M.W.:
694.45
Type:
---
AlogP:
-5.86
Polar Surface Area:
336.60
HBA:
20
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5281930 Name:
5-((2R,3R)-5,7-diacetoxy-3-((3,5-diacetoxy-4-(1-((
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Mol. Formula:
C42H42O21
M.W.:
882.78
Type:
---
AlogP:
5.35
Polar Surface Area:
264.39
HBA:
21
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5280499 Name:
Mol. Formula:
C21H26N10O13P2
M.W.:
688.44
Type:
---
AlogP:
-2.15
Polar Surface Area:
342.78
HBA:
20
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4867353 Name:
4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbo
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Mol. Formula:
C15H9F2N5O3
M.W.:
345.26
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
110.00
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5291047 Name:
5-((2R,3R)-5,7-diacetoxy-3-((3,5-diacetoxy-4-((2-m
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Mol. Formula:
C40H40O20
M.W.:
840.74
Type:
---
AlogP:
4.06
Polar Surface Area:
247.32
HBA:
20
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5290835 Name:
5-((2R,3R)-5,7-diacetoxy-3-((3,5-diacetoxy-4-(((te
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Mol. Formula:
C42H42O21
M.W.:
882.78
Type:
---
AlogP:
5.35
Polar Surface Area:
264.39
HBA:
21
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5290385 Name:
(2E)-1-[(E)-4-[(2E)-5-carbamoyl-2-[2-(2-ethyl-5-me
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Mol. Formula:
C44H53N11O6
M.W.:
831.98
Type:
---
AlogP:
4.38
Polar Surface Area:
208.20
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
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