ALA5272274Name:
N5-butyl-6-(3-(dimethylamino)propoxy)-1,2,4-triazine-3,5-diamineMol. Formula:
C12H24N6OM.W.:
268.36Type:
---AlogP:
1.00Polar Surface Area:
89.19HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
3.77Polar Surface Area:
51.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
3.00Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
---AlogP:
2.60Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.81DETAILS
ALA5270391Name:
N5-butyl-6-(2-methoxyethoxy)-1,2,4-triazine-3,5-diamineMol. Formula:
C10H19N5O2M.W.:
241.29Type:
---AlogP:
0.69Polar Surface Area:
95.18HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
---AlogP:
2.85Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.86DETAILS - ALA5269895
Name:
N5-butyl-6-isopropoxy-1,2,4-triazine-3,5-diamineMol. Formula:
C10H19N5OM.W.:
225.30Type:
---AlogP:
1.45Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
2.22Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA5268768
Name:
N-(2-propylthiazolo[4,5-c]quinolin-4-yl)butyramideMol. Formula:
C17H19N3OSM.W.:
313.43Type:
---AlogP:
4.54Polar Surface Area:
54.88HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
1.83Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS - ALA5282657
Name:
N5-butyl-6-(3-phenylpropoxy)-1,2,4-triazine-3,5-diamineMol. Formula:
C16H23N5OM.W.:
301.39Type:
---AlogP:
2.68Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
0.67Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5281452
Name:
N5-butyl-6-(pyridin-3-ylmethoxy)-1,2,4-triazine-3,5-diamineMol. Formula:
C13H18N6OM.W.:
274.33Type:
---AlogP:
1.64Polar Surface Area:
98.84HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.39Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
---AlogP:
3.33Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
---AlogP:
1.41Polar Surface Area:
137.53HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA5280405
Name:
N-(2-propylthiazolo[4,5-c]quinolin-4-yl)methanesulfonamideMol. Formula:
C14H15N3O2S2M.W.:
321.43Type:
---AlogP:
3.17Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA5278700
Name:
N-(2-propylthiazolo[4,5-c]quinolin-4-yl)formamideMol. Formula:
C14H13N3OSM.W.:
271.35Type:
---AlogP:
3.37Polar Surface Area:
54.88HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.24Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
3.63Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
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