ALA5267126Name:
N5-butyl-6-((2-fluorobenzyl)oxy)-1,2,4-triazine-3,5-diamineMol. Formula:
C14H18FN5OM.W.:
291.33Type:
---AlogP:
2.38Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
---AlogP:
1.85Polar Surface Area:
117.54HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA5282657Name:
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
ALA5281452Name:
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 - ALA5277457
Name:
7-(m-tolyl)pyrazolo[1,5-a]pyridine-3-carboxamideMol. Formula:
C15H13N3OM.W.:
251.29Type:
---AlogP:
2.41Polar Surface Area:
60.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS -
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 -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
2.61Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA5276805
Name:
6-(benzyloxy)-N5-butyl-1,2,4-triazine-3,5-diamineMol. Formula:
C14H19N5OM.W.:
273.34Type:
---AlogP:
2.24Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5276791
Name:
3-azido-N-(2-propylthiazolo[4,5-c]quinolin-4-yl)propanamideMol. Formula:
C16H16N6OSM.W.:
340.41Type:
---AlogP:
4.44Polar Surface Area:
103.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
---AlogP:
3.78Polar Surface Area:
48.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5275885
Name:
ethyl 2-amino-8-(3-cyanophenyl)-3H-benzo[b]azepine-4-carboxylateMol. Formula:
C20H17N3O2M.W.:
331.38Type:
---AlogP:
3.56Polar Surface Area:
88.47HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5275220
Name:
(R)-3-((3-amino-6-methoxy-1,2,4-triazin-5-yl)amino)heptan-1-olMol. Formula:
C11H21N5O2M.W.:
255.32Type:
---AlogP:
0.82Polar Surface Area:
106.18HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS
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