ALA5275861Name:
5-(4-chlorobutyl)-2-thioxo-2,3-dihydro-1H-pyrano[2,3-d]pyrimidine-4,7-dioneMol. Formula:
C11H11ClN2O3SM.W.:
286.74Type:
---AlogP:
2.10Polar Surface Area:
78.86HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA5284951Name:
5-(4-chlorobutyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7(3H)-trioneMol. Formula:
C11H11ClN2O4M.W.:
270.67Type:
---AlogP:
0.73Polar Surface Area:
95.93HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA5270112Name:
5-butyl-2-thioxo-2,3-dihydro-1H-pyrano[2,3-d]pyrimidine-4,7-dioneMol. Formula:
C11H12N2O3SM.W.:
252.29Type:
---AlogP:
1.88Polar Surface Area:
78.86HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
UnknownAlogP:
3.81Polar Surface Area:
85.73HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
6.32Polar Surface Area:
59.42HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
81.40HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
5.69Polar Surface Area:
101.21HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.95Polar Surface Area:
83.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.08Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
83.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
79.98HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
6.22Polar Surface Area:
101.21HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
5.09Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.95Polar Surface Area:
70.50HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.66Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
92.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4171685
Name:
(R)-2-benzyl-N1-(4-(2-chlorophenyl)thiazol-2-yl)-N1-methylsuccinamideMol. Formula:
C21H20ClN3O2SM.W.:
413.93Type:
Small moleculeAlogP:
4.16Polar Surface Area:
76.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.45Polar Surface Area:
66.84HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
5.50Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
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