Type:
---AlogP:
5.35Polar Surface Area:
83.29HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA5196248Name:
butyl 3-(4-(((4-chlorophenyl)sulfonyl)oxy)-3-methoxyphenyl)acrylateMol. Formula:
C20H21ClO6SM.W.:
424.90Type:
---AlogP:
4.47Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
---AlogP:
3.66Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA5208608Name:
1-cyclopentyl-5-(6-oxo-1,6-dihydropyrimidin-2-yl)-1H-indole-3-carbonitrileMol. Formula:
C18H16N4OM.W.:
304.35Type:
---AlogP:
3.79Polar Surface Area:
74.73HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5208499Name:
N-(3-cyano-1-allyl-1H-indol-6-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamideMol. Formula:
C17H13N5O2M.W.:
319.32Type:
---AlogP:
2.03Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS- ALA5208413
Name:
methyl 3-(4-((butylsulfonyl)oxy)-3-methoxyphenyl)acrylateMol. Formula:
C15H20O6SM.W.:
328.39Type:
---AlogP:
2.39Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
---AlogP:
4.42Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5207561
Name:
ethyl 3-(4-((butylsulfonyl)oxy)-3-methoxyphenyl)acrylateMol. Formula:
C16H22O6SM.W.:
342.41Type:
---AlogP:
2.78Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5207426
Name:
2-[4-(4-chlorobenzyloxy)-3-cyano]phenylpyrimidine-5-carboxylic acidMol. Formula:
C19H12ClN3O3M.W.:
365.78Type:
---AlogP:
3.95Polar Surface Area:
96.10HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA5206769
Name:
2-(3-cyano-4-isopentyloxy)phenylpyrimidine-4-carboxylic acidMol. Formula:
C17H17N3O3M.W.:
311.34Type:
---AlogP:
3.14Polar Surface Area:
96.10HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
2.43Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
2.91Polar Surface Area:
112.80HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
3.14Polar Surface Area:
107.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5203944
Name:
2-(3-cyano-4-(cyclohexylmethoxy))phenylpyrimidine-5-carboxylic acidMol. Formula:
C19H19N3O3M.W.:
337.38Type:
---AlogP:
3.67Polar Surface Area:
96.10HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
---AlogP:
4.62Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
2.96Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
3.27Polar Surface Area:
103.57HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
2.61Polar Surface Area:
107.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5201100
Name:
(E)-2-amino-5-(4-methoxybenzylidene)thiazol-4(5H)-oneMol. Formula:
C11H10N2O2SM.W.:
234.28Type:
---AlogP:
1.62Polar Surface Area:
64.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
3.86Polar Surface Area:
73.91HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
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