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ALA4572293 Name:
Ethyl (E)-2-(4-chloro-3-(2-nitrovinyl)phenoxy)-2-m
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Mol. Formula:
C14H16ClNO5
M.W.:
313.74
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
78.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4581780 Name:
Ethyl (E)-2-(4-chloro-2-(2-nitrovinyl)phenoxy)-2-m
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Mol. Formula:
C14H16ClNO5
M.W.:
313.74
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
78.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5282061 Name:
Lupinoside PA1
Mol. Formula:
C53H86O23
M.W.:
1091.25
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5281015 Name:
7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphen
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Mol. Formula:
C20H24O5
M.W.:
344.41
Type:
---
AlogP:
3.73
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5278578 Name:
3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyr
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Mol. Formula:
C60H98O28
M.W.:
1267.42
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5287484 Name:
Akebia saponin D
Mol. Formula:
C47H76O18
M.W.:
929.11
Type:
---
AlogP:
-0.25
Polar Surface Area:
294.98
HBA:
18
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5287257 Name:
22beta-acetoxyglycyrrhizin
Mol. Formula:
C44H64O18
M.W.:
880.98
Type:
---
AlogP:
1.79
Polar Surface Area:
293.34
HBA:
15
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5285494 Name:
Chikusetsusaponin IV
Mol. Formula:
C47H74O18
M.W.:
927.09
Type:
---
AlogP:
0.87
Polar Surface Area:
291.82
HBA:
17
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5285384 Name:
(R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-tri
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Mol. Formula:
C23H30O8
M.W.:
434.49
Type:
---
AlogP:
3.80
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5289066 Name:
Lupinoside PA4
Mol. Formula:
C54H88O22
M.W.:
1089.28
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5288671 Name:
3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyr
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Mol. Formula:
C54H88O23
M.W.:
1105.28
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5282884 Name:
Dehydrosoyasaponin I
Mol. Formula:
C48H76O18
M.W.:
941.12
Type:
---
AlogP:
0.91
Polar Surface Area:
291.82
HBA:
17
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5277227 Name:
Kleinhospitine D
Mol. Formula:
C30H37NO4
M.W.:
475.63
Type:
---
AlogP:
5.03
Polar Surface Area:
72.47
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5276551 Name:
Licorice-saponin G2
Mol. Formula:
C42H62O17
M.W.:
838.94
Type:
---
AlogP:
1.22
Polar Surface Area:
287.27
HBA:
14
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5274731 Name:
Macedonoside A
Mol. Formula:
C42H62O16
M.W.:
822.94
Type:
---
AlogP:
2.25
Polar Surface Area:
267.04
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5270135 Name:
Astragaloside VIII
Mol. Formula:
C47H76O17
M.W.:
913.11
Type:
---
AlogP:
1.34
Polar Surface Area:
274.75
HBA:
16
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5268935 Name:
Wistariasaponin YC1
Mol. Formula:
C53H86O22
M.W.:
1075.25
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5268018 Name:
Kleinhospitine B
Mol. Formula:
C30H37NO4
M.W.:
475.63
Type:
---
AlogP:
5.03
Polar Surface Area:
72.47
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5267673 Name:
Comploside II
Mol. Formula:
C54H88O23
M.W.:
1105.28
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5266708 Name:
Subproside V
Mol. Formula:
C54H88O24
M.W.:
1121.27
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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