Type:
---AlogP:
3.72Polar Surface Area:
152.16HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
UnknownAlogP:
5.17Polar Surface Area:
113.10HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA3975634Name:
US8889696, Staurosporine::US9051313, StaurosporineMol. Formula:
C27H24N4O3M.W.:
452.51Type:
Small moleculeAlogP:
4.75Polar Surface Area:
72.94HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA570425Name:
N-(2-(5-(4-ethoxybenzylidene)-2,4-dioxothiazolidin-3-yl)ethyl)acetamideMol. Formula:
C16H18N2O4SM.W.:
334.40Type:
Small moleculeAlogP:
2.26Polar Surface Area:
75.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA577105Name:
3-(2-(dimethylamino)ethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dioneMol. Formula:
C16H20N2O3SM.W.:
320.41Type:
Small moleculeAlogP:
2.68Polar Surface Area:
49.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA570003
Name:
3-(2-aminoethyl)-5-(3-nitrobenzylidene)thiazolidine-2,4-dioneMol. Formula:
C12H11N3O4SM.W.:
293.30Type:
Small moleculeAlogP:
1.59Polar Surface Area:
106.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA576895
Name:
3-(2-aminoethyl)-5-(4-nitrobenzylidene)thiazolidine-2,4-dioneMol. Formula:
C12H11N3O4SM.W.:
293.30Type:
Small moleculeAlogP:
1.59Polar Surface Area:
106.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA577953
Name:
3-(2-aminoethyl)-5-(3-fluorobenzylidene)thiazolidine-2,4-dioneMol. Formula:
C12H11FN2O2SM.W.:
266.30Type:
Small moleculeAlogP:
1.82Polar Surface Area:
63.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA569743
Name:
3-(2-aminoethyl)-5-(4-fluorobenzylidene)thiazolidine-2,4-dioneMol. Formula:
C12H11FN2O2SM.W.:
266.30Type:
Small moleculeAlogP:
1.82Polar Surface Area:
63.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA569545
Name:
3-(2-aminoethyl)-5-(2-ethoxybenzylidene)thiazolidine-2,4-dioneMol. Formula:
C14H16N2O3SM.W.:
292.36Type:
Small moleculeAlogP:
2.08Polar Surface Area:
72.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
111.28HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
81.59HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS
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