Type:
Small moleculeAlogP:
1.86Polar Surface Area:
105.12HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
2.65Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
1.90Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
2.04Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS
ALA2289231Name:
2-hydroxy-4-pentadecylbenzaldehydeCas Number:
40188-88-3Mol. Formula:
C22H36O2M.W.:
332.53Type:
Small moleculeAlogP:
6.84Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.28DETAILS-
Type:
Small moleculeAlogP:
-1.32Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2289229
Name:
5-ethyl-2-hydroxybenzaldehydeCas Number:
52411-35-5Mol. Formula:
C9H10O2M.W.:
150.18Type:
Small moleculeAlogP:
1.77Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
0.00HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
16.32Polar Surface Area:
139.59HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
55Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
3.38Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
38.77HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
55.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS
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