Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA5205814Name:
3-benzyl-2-(4-((3,7-dimethyloct-6-en-1-yl)oxy)phenyl)thiazolidin-4-oneMol. Formula:
C26H33NO2SM.W.:
423.62Type:
---AlogP:
6.61Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
4.47Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
---AlogP:
4.47Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA5193148Name:
3-benzyl-2-(4-((3,7-dimethyloctyl)oxy)phenyl)thiazolidin-4-oneMol. Formula:
C26H35NO2SM.W.:
425.64Type:
---AlogP:
6.69Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
---AlogP:
6.22Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
6.22Polar Surface Area:
141.34HBA:
10HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
---AlogP:
6.22Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5182105
Name:
3-benzyl-2-(4-((3,7-dimethylocta-2,6-dien-1-yl)oxy)phenyl)thiazolidin-4-oneMol. Formula:
C26H31NO2SM.W.:
421.61Type:
---AlogP:
6.53Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5181695
Name:
3-benzyl-2-(2,6-dimethylheptyl)thiazolidin-4-oneMol. Formula:
C19H29NOSM.W.:
319.51Type:
---AlogP:
4.94Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5178087
Name:
3-benzyl-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)thiazolidin-4-oneMol. Formula:
C19H23NOSM.W.:
313.47Type:
---AlogP:
4.08Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5176654
Name:
3-benzyl-2-(2,6-dimethylhept-5-enyl)thiazolidin-4-oneMol. Formula:
C19H27NOSM.W.:
317.50Type:
---AlogP:
4.86Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
5.83Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
2.94Polar Surface Area:
133.49HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5094812
Name:
5-(2-(dimethylamino)ethyl)-9,10-dimethoxybenzo[c]phenanthridin-6(5H)-oneMol. Formula:
C23H24N2O3M.W.:
376.46Type:
UnknownAlogP:
3.89Polar Surface Area:
43.70HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
3.33Polar Surface Area:
62.16HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5092643
Name:
5-(2-(dimethylamino)ethyl)-8,9-dimethoxybenzo[c]phenanthridin-6(5H)-oneMol. Formula:
C23H24N2O3M.W.:
376.46Type:
UnknownAlogP:
3.89Polar Surface Area:
43.70HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
3.88Polar Surface Area:
43.70HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
3.31Polar Surface Area:
73.16HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA5091716
Name:
5-(2-(dimethylamino)ethyl)-8-hydroxybenzo[c]phenanthridin-6(5H)-oneMol. Formula:
C21H20N2O2M.W.:
332.40Type:
UnknownAlogP:
3.58Polar Surface Area:
45.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
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