Type:
UnknownAlogP:
4.24Polar Surface Area:
89.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA4531870Name:
4-O-methyldavidigenin; 2',4'-dihydroxy-4-methoxydihydrochalconeMol. Formula:
C16H16O4M.W.:
272.30Type:
UnknownAlogP:
2.92Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
138.45HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
155.14HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.08DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA1685064
Name:
3-Dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C20H31N3O2S2M.W.:
409.62Type:
Small moleculeAlogP:
5.80Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1685063
Name:
ortho-Dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C20H31N3O2S2M.W.:
409.62Type:
Small moleculeAlogP:
5.80Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
6.95Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA1685061
Name:
2-(5-(Biphen-4-ylsulfonamido)-1,3,4-thiadiazol-2-yl)acetateMol. Formula:
C15H13N3O3S2M.W.:
347.42Type:
Small moleculeAlogP:
2.50Polar Surface Area:
92.18HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA1685060
Name:
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)biphenyl-4-sulfonamideMol. Formula:
C16H15N3O2S2M.W.:
345.45Type:
Small moleculeAlogP:
3.57Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1685059
Name:
N-(1,3,4-Thiadiazol-2-yl)biphenyl-4-sulfonamideMol. Formula:
C14H11N3O2S2M.W.:
317.40Type:
Small moleculeAlogP:
3.01Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA1685058
Name:
5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamideMol. Formula:
C20H32N4O4S3M.W.:
488.70Type:
Small moleculeAlogP:
4.45Polar Surface Area:
132.11HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA1685057
Name:
4-Dodecyl-N-(5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C21H33N3O3S2M.W.:
439.65Type:
Small moleculeAlogP:
5.29Polar Surface Area:
92.18HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1685056
Name:
Ethyl 5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazol-2-carboxylateMol. Formula:
C23H35N3O4S2M.W.:
481.68Type:
Small moleculeAlogP:
5.98Polar Surface Area:
98.25HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA1685055
Name:
Ethyl 2-(5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetateMol. Formula:
C24H37N3O4S2M.W.:
495.71Type:
Small moleculeAlogP:
5.91Polar Surface Area:
98.25HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA1681823
Name:
2-(5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetic AcidMol. Formula:
C22H33N3O4S2M.W.:
467.66Type:
Small moleculeAlogP:
5.43Polar Surface Area:
109.25HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA1685054
Name:
N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-4-dodecylbenzenesulfonamideMol. Formula:
C24H39N3O2S2M.W.:
465.73Type:
Small moleculeAlogP:
7.10Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1685053
Name:
4-Dodecyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C22H35N3O2S2M.W.:
437.68Type:
Small moleculeAlogP:
6.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA1685052
Name:
4-Dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C21H33N3O2S2M.W.:
423.65Type:
Small moleculeAlogP:
6.11Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1685051
Name:
4-Octadecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideMol. Formula:
C26H43N3O2S2M.W.:
493.78Type:
Small moleculeAlogP:
8.14Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.19DETAILS
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