ALA4791427Name:
3,2',4'-trihydroxy-4-methoxychalconeCas Number:
13323-67-6Mol. Formula:
C16H14O5M.W.:
286.28Type:
UnknownAlogP:
2.71Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
UnknownAlogP:
-0.36Polar Surface Area:
312.05HBA:
18HBD:
11#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
4.88Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
3.82Polar Surface Area:
107.53HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
UnknownAlogP:
4.15Polar Surface Area:
68.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.68DETAILS-
Type:
UnknownAlogP:
-0.46Polar Surface Area:
139.84HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
3.56Polar Surface Area:
124.29HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4755918
Name:
1-(3',4'-dihydroxycinnamoyl)cyclopentane-2,3-diolMol. Formula:
C14H16O6M.W.:
280.28Type:
UnknownAlogP:
0.54Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
4.36Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
3.63Polar Surface Area:
69.56HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
3.87Polar Surface Area:
83.20HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
3.94Polar Surface Area:
67.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
4.70Polar Surface Area:
30.19HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
3.93Polar Surface Area:
58.56HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
6.77Polar Surface Area:
17.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
4.66Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
3.63Polar Surface Area:
69.56HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
---AlogP:
3.35Polar Surface Area:
108.25HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
4.26Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.70DETAILS
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