ALA3746617Name:
(5E,20S)-1alpha,25-Dihydroxy-2-methylenevitamin D3Mol. Formula:
C28H44O3M.W.:
428.66Type:
Small moleculeAlogP:
5.87Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
5.87Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
6.76Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
6.76Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
5.87Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
5.87Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3593369
Name:
(9E)-1alpha,25-Dihydroxy-9-ethylidene-19-norvitamin D3Mol. Formula:
C28H46O3M.W.:
430.67Type:
Small moleculeAlogP:
6.09Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3593368
Name:
1alpha,25-Dihydroxy-9-methylene-10(R),19-dihydrovitamin D3Mol. Formula:
C28H46O3M.W.:
430.67Type:
Small moleculeAlogP:
5.95Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3593367
Name:
1alpha,25-Dihydroxy-9-methylene-10(S),19-dihydrovitamin D3Mol. Formula:
C28H46O3M.W.:
430.67Type:
Small moleculeAlogP:
5.95Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.70Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
5.95Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3593364
Name:
1alpha,25-Dihydroxy-9beta-methyl-19-norvitamin D3Mol. Formula:
C27H46O3M.W.:
418.66Type:
Small moleculeAlogP:
5.78Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3355593
Name:
(20S)-3-Desoxy-1alpha,25-dihydroxy-2-methylene-vitamin D3Mol. Formula:
C28H44O2M.W.:
412.66Type:
Small moleculeAlogP:
6.90Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3355592
Name:
3-Desoxy-1alpha,25-dihydroxy-2-methylene-vitamin D3Mol. Formula:
C28H44O2M.W.:
412.66Type:
Small moleculeAlogP:
6.90Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
6.90Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
6.90Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
6.73Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
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