Type:
Small moleculeAlogP:
5.55Polar Surface Area:
93.19HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
0.19Polar Surface Area:
113.42HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
93.19HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA219299Name:
4-[1,1-(diphenyl)-1-[(6-thymin-1-yl)hexyloxy]methyl]-N-methylbenzamideMol. Formula:
C32H35N3O4M.W.:
525.65Type:
Small moleculeAlogP:
4.77Polar Surface Area:
93.19HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS-
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
67.97HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA373998
Name:
1-[(Z)-4-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]-2-buten-1-yl]thymineMol. Formula:
C27H25N3O3M.W.:
439.52Type:
Small moleculeAlogP:
3.80Polar Surface Area:
76.98HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA373997
Name:
1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]-2-buten-1-yl]thymineMol. Formula:
C28H25ClN2O3M.W.:
472.97Type:
Small moleculeAlogP:
5.06Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA219510
Name:
1-[2-[2-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]ethoxy]ethyl]thymineMol. Formula:
C27H27N3O4M.W.:
457.53Type:
Small moleculeAlogP:
3.27Polar Surface Area:
86.21HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA219458
Name:
1-[2-[2-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]ethoxy]ethyl]thymineMol. Formula:
C28H27ClN2O4M.W.:
490.99Type:
Small moleculeAlogP:
4.52Polar Surface Area:
73.32HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
67.97HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA220459
Name:
1-[6-[1,1-(diphenyl)-1-(4-pyridyl)methoxy]hexyl]thymineMol. Formula:
C29H31N3O3M.W.:
469.59Type:
Small moleculeAlogP:
4.81Polar Surface Area:
76.98HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA219960
Name:
1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hexyl]thymineMol. Formula:
C30H31ClN2O3M.W.:
503.04Type:
Small moleculeAlogP:
6.07Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
73.32HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
6.19Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
5.41Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
64.09HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS
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