Compounds

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ALA3260783
Name:
N-(3-(1H-imidazol-1-yl)propyl)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecShow More⌵
Mol. Formula:
C18H22FN3O
M.W.:
315.39
18 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3260782
Name:
2,2-dibromo-1-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)propyl)cyclopropanecarShow More⌵
Mol. Formula:
C12H17Br2N3O
M.W.:
379.10
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3260781
Name:
2,2-dibromo-N-(3-(4-chloro-1H-imidazol-1-yl)propyl)-1-methylcyclopropanecarShow More⌵
Mol. Formula:
C11H14Br2ClN3O
M.W.:
399.51
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3260780
Name:
2,2-dibromo-1-methyl-N-(3-morpholinopropyl)cyclopropanecarboxamide
Mol. Formula:
C12H20Br2N2O2
M.W.:
384.11
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3260779
Name:
N-(3-(1H-imidazol-1-yl)propyl)-2,2-dichloro-1-methylcyclopropanecarboxamide
Mol. Formula:
C11H15Cl2N3O
M.W.:
276.17
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2381069
Name:
S-2-fluorobenzyl 6-phenylhexylcarbamothioate
Mol. Formula:
C20H24FNOS
M.W.:
345.48
10 activity values
6 unique targets
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
29.10
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE