ALA4530977Name:
1,4-bis((2-chloro-4-methoxyphenoxy)methyl)benzeneCas Number:
146949-20-4Mol. Formula:
C22H20Cl2O4M.W.:
419.30Type:
UnknownAlogP:
6.17Polar Surface Area:
36.92HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
UnknownAlogP:
4.18Polar Surface Area:
36.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
Small moleculeAlogP:
-3.20Polar Surface Area:
142.08HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
-2.80Polar Surface Area:
194.66HBA:
11HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
-2.92Polar Surface Area:
148.13HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
166.34HBA:
13HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA3275939
Name:
imidazo[1,2-a]-s-triazine-4,6-dioneCas Number:
67410-57-5Mol. Formula:
C5H4N4O2M.W.:
152.11Type:
Small moleculeAlogP:
-1.29Polar Surface Area:
83.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3275938
Name:
2-aminoimidazo[1,2-a]-s-triazin-4-oneCas Number:
67410-64-4Mol. Formula:
C5H5N5OM.W.:
151.13Type:
Small moleculeAlogP:
-1.00Polar Surface Area:
89.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
38.91HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA1233737
Name:
3-methoxy-6-(4-m-tolylpiperazin-1-yl)pyridazineCas Number:
100241-46-1Mol. Formula:
C16H20N4OM.W.:
284.36Type:
Small moleculeAlogP:
2.12Polar Surface Area:
41.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.43Polar Surface Area:
84.59HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
6.14Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.82Polar Surface Area:
84.59HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
6.28Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
7.36Polar Surface Area:
45.67HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
84.59HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
84.59HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS
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