Type:
Small moleculeAlogP:
2.31Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS
ALA132745Name:
10-[3-(4-Benzyloxy-phenyl)-propionyl]-1,8-dihydroxy-10H-anthracen-9-oneMol. Formula:
C30H24O5M.W.:
464.52Type:
Small moleculeAlogP:
5.56Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA133113Name:
1,8-Dihydroxy-10-(4-phenyl-butyryl)-10H-anthracen-9-oneMol. Formula:
C24H20O4M.W.:
372.42Type:
Small moleculeAlogP:
4.37Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA132621Name:
1,8-Dihydroxy-10-[3-(4-hydroxy-phenyl)-propionyl]-10H-anthracen-9-oneMol. Formula:
C23H18O5M.W.:
374.39Type:
Small moleculeAlogP:
3.68Polar Surface Area:
94.83HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS- ALA422087
Name:
1,8-Dihydroxy-10-(4-methyl-benzylidene)-10H-anthracen-9-oneMol. Formula:
C22H16O3M.W.:
328.37Type:
Small moleculeAlogP:
4.54Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA134029
Name:
1,8-Dihydroxy-10-[3-(4-methoxy-phenyl)-propionyl]-10H-anthracen-9-oneMol. Formula:
C24H20O5M.W.:
388.42Type:
Small moleculeAlogP:
3.98Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA129939
Name:
1,8-Dihydroxy-10-(3,4,5-trimethoxy-benzylidene)-10H-anthracen-9-oneMol. Formula:
C24H20O6M.W.:
404.42Type:
Small moleculeAlogP:
4.26Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA339100
Name:
1,8-Dihydroxy-10-phenethylidene-10H-anthracen-9-oneMol. Formula:
C22H16O3M.W.:
328.37Type:
Small moleculeAlogP:
4.32Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA130382
Name:
1,8-Dihydroxy-10-(3-phenyl-propylidene)-10H-anthracen-9-oneMol. Formula:
C23H18O3M.W.:
342.39Type:
Small moleculeAlogP:
4.71Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA422443
Name:
1,8-Dihydroxy-10-(4-phenyl-butylidene)-10H-anthracen-9-oneMol. Formula:
C24H20O3M.W.:
356.42Type:
Small moleculeAlogP:
5.10Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA334536
Name:
1,8-Dihydroxy-10-(5-phenyl-pentylidene)-10H-anthracen-9-oneMol. Formula:
C25H22O3M.W.:
370.45Type:
Small moleculeAlogP:
5.49Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA133296
Name:
4-(4,5-Dihydroxy-10-oxo-10H-anthracen-9-ylidenemethyl)-benzoic acidMol. Formula:
C22H14O5M.W.:
358.35Type:
Small moleculeAlogP:
3.93Polar Surface Area:
94.83HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA130171
Name:
1,8-Dihydroxy-10-[3-(4-methoxy-phenyl)-propylidene]-10H-anthracen-9-oneMol. Formula:
C24H20O4M.W.:
372.42Type:
Small moleculeAlogP:
4.72Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA334954
Name:
1,8-Dihydroxy-10-(5-phenyl-pentanoyl)-10H-anthracen-9-oneMol. Formula:
C25H22O4M.W.:
386.45Type:
Small moleculeAlogP:
4.76Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA131667
Name:
1,8-Dihydroxy-10-(4-hydroxy-benzylidene)-10H-anthracen-9-oneMol. Formula:
C21H14O4M.W.:
330.34Type:
Small moleculeAlogP:
3.94Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA130968
Name:
10-Butyryl-1,8-dihydroxy-10H-anthracen-9-one (Butantrone)Mol. Formula:
C18H16O4M.W.:
296.32Type:
Small moleculeAlogP:
3.14Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA130792
Name:
10-[3-(3,4-Dimethoxy-phenyl)-propionyl]-1,8-dihydroxy-10H-anthracen-9-oneMol. Formula:
C25H22O6M.W.:
418.45Type:
Small moleculeAlogP:
3.99Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
102.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS
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