ALA5198996Name:
1-(Beta-L-Fucopyranosylmethyl)-3-(4-fluorophenyl)thioureaMol. Formula:
C14H19FN2O4SM.W.:
330.38Type:
---AlogP:
-0.02Polar Surface Area:
93.98HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
-0.45Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA5204670Name:
N-(Beta-L-Fucopyranosyl)-4-trifluoromethylbenzamideMol. Formula:
C14H16F3NO5M.W.:
335.28Type:
---AlogP:
0.26Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
---AlogP:
-1.21Polar Surface Area:
116.09HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
---AlogP:
-1.16Polar Surface Area:
112.16HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS-
Type:
---AlogP:
-0.75Polar Surface Area:
108.25HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5195342
Name:
N-(Beta-L-Fucopyranosyl)-thiophene-2-carboxamideMol. Formula:
C11H15NO5SM.W.:
273.31Type:
---AlogP:
-0.69Polar Surface Area:
99.02HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5192834
Name:
1-(Beta-L-Fucopyranosylmethyl)-3-(4-methylphenyl)thioureaMol. Formula:
C15H22N2O4SM.W.:
326.42Type:
---AlogP:
0.15Polar Surface Area:
93.98HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
-0.45Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
-2.05Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
-1.41Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
-0.10Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
---AlogP:
-0.76Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
-0.36Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
-1.01Polar Surface Area:
324.13HBA:
15HBD:
10#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
---AlogP:
-1.15Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
---AlogP:
-0.85Polar Surface Area:
142.16HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
0.40Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5176327
Name:
N-(Beta-L-Fucopyranosyl)-[1,1'-biphenyl]-3-carboxamideMol. Formula:
C19H21NO5M.W.:
343.38Type:
---AlogP:
0.91Polar Surface Area:
99.02HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
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