Compounds

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ALA4591779
Name:
6-morpholino-N-((2-(thiophen-2-yl)thiazol-4-yl)methyl)pyridine-3-sulfonamidShow More⌵
Mol. Formula:
C17H18N4O3S3
M.W.:
422.56
7 activity values
5 unique targets
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
84.42
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4576057
Name:
N-(2-(2-(4-chlorophenylsulfonyl)ethylthio)phenyl)-1-methyl-1H-imidazole-4-sShow More⌵
Mol. Formula:
C18H18ClN3O4S3
M.W.:
472.01
7 activity values
5 unique targets
Type:
Unknown
AlogP:
3.44
Polar Surface Area:
98.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4564787
Name:
methyl 4-ethyl-3-((4-(furan-3-ylmethyl)-5-(4-(trifluoromethyl)phenyl)-4H-1,Show More⌵
Mol. Formula:
C25H22F3N3O3S
M.W.:
501.53
7 activity values
5 unique targets
Type:
Unknown
AlogP:
6.25
Polar Surface Area:
70.15
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4563636
Name:
N-[(4-chlorophenyl)(methyl)oxido-lambda[4]sulfanylidene]-5-pyridin-2-ylthioShow More⌵
Mol. Formula:
C16H13ClN2O3S3
M.W.:
412.95
7 activity values
5 unique targets
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
76.46
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4557539
Name:
1-(3,5-dimethylisoxazol-4-yl)-3-((2-(thiophen-2-yl)thiazol-4-yl)methyl)urea
Mol. Formula:
C14H14N4O2S2
M.W.:
334.43
7 activity values
5 unique targets
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
80.05
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4539727
Name:
N-(3,5-dichlorophenyl)-2-(4-methyl-5-(thiophen-3-ylmethyl)-4H-1,2,4-triazolShow More⌵
Mol. Formula:
C16H14Cl2N4OS2
M.W.:
413.36
7 activity values
5 unique targets
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4538899
Name:
6-(2-(2-(4-chlorophenylsulfonyl)ethylthio)pyrimidin-5-yl)-2,7-dimethylpyrazShow More⌵
Mol. Formula:
C20H18ClN5O2S2
M.W.:
459.98
7 activity values
5 unique targets
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
90.11
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4536878
Name:
3-((1H-benzo[d]imidazol-2-ylthio)methyl)-5-(5-methyl-3-phenylisoxazol-4-yl)Show More⌵
Mol. Formula:
C20H15N5O2S
M.W.:
389.44
7 activity values
5 unique targets
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
93.63
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE