Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA5281015Name:
7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-oneMol. Formula:
C20H24O5M.W.:
344.41Type:
---AlogP:
3.73Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS-
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
5.03Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
1.22Polar Surface Area:
287.27HBA:
14HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
2.25Polar Surface Area:
267.04HBA:
13HBD:
8#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
-0.25Polar Surface Area:
294.98HBA:
18HBD:
11#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
---AlogP:
1.79Polar Surface Area:
293.34HBA:
15HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
---AlogP:
0.87Polar Surface Area:
291.82HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
---AlogP:
3.80Polar Surface Area:
125.68HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
---AlogP:
1.34Polar Surface Area:
274.75HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
5.03Polar Surface Area:
72.47HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
0.91Polar Surface Area:
291.82HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4581780
Name:
Ethyl (E)-2-(4-chloro-2-(2-nitrovinyl)phenoxy)-2-methylpropanoateMol. Formula:
C14H16ClNO5M.W.:
313.74Type:
UnknownAlogP:
3.31Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
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