ALA5207198Name:
6-fluoro-2-((4-(1-hydroxyethyl)phenyl)amino)benzo[d]thiazole-4-carboxamideMol. Formula:
C16H14FN3O2SM.W.:
331.37Type:
---AlogP:
3.33Polar Surface Area:
88.24HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
0.13Polar Surface Area:
215.47HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA5201988Name:
4-(2,6-dichlorobenzyl)-2-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3(2H)-oneMol. Formula:
C18H16Cl2N2O2M.W.:
363.24Type:
---AlogP:
4.38Polar Surface Area:
47.02HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
---AlogP:
4.16Polar Surface Area:
64.78HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
3.82Polar Surface Area:
66.05HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
---AlogP:
3.90Polar Surface Area:
71.25HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.87Polar Surface Area:
70.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
4.59Polar Surface Area:
67.58HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA5189956
Name:
2-((4-(1-aminoethyl)phenyl)amino)-6-fluorobenzo[d]thiazole-4-carboxamideMol. Formula:
C16H15FN4OSM.W.:
330.39Type:
---AlogP:
3.30Polar Surface Area:
94.03HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
3.26Polar Surface Area:
115.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
---AlogP:
2.41Polar Surface Area:
132.00HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
1.88Polar Surface Area:
219.70HBA:
8HBD:
5#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
---AlogP:
4.30Polar Surface Area:
185.70HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA5180051
Name:
2-((((1r,4r)-4-hydroxycyclohexyl)thio)methyl)-8-methylquinazolin-4(3H)-oneMol. Formula:
C16H20N2O2SM.W.:
304.42Type:
---AlogP:
2.77Polar Surface Area:
65.98HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
---AlogP:
3.39Polar Surface Area:
75.21HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
---AlogP:
2.62Polar Surface Area:
61.02HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA5177845
Name:
8-methyl-2-((pyridin-4-ylthio)methyl)quinazolin-4(3H)-oneMol. Formula:
C15H13N3OSM.W.:
283.36Type:
---AlogP:
2.92Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
4.31Polar Surface Area:
174.84HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
3.40Polar Surface Area:
69.81HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4229283
Name:
N-(2-(9H-Carbazol-1-yl)phenyl)-2-(6-methylpyridin-3-yl)acetamideMol. Formula:
C26H21N3OM.W.:
391.47Type:
Small moleculeAlogP:
5.87Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
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