Compounds

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ALA1099307
Name:
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2R,3R)-1,3-dihydroxybutan-2-yShow More⌵
Mol. Formula:
C58H79N13O13S2
M.W.:
1230.48
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA249113
Name:
((3R,4aR,10aR)-6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-ylShow More⌵
Mol. Formula:
C25H30N4O4
M.W.:
450.54
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
87.95
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA249112
Name:
((3S,4aS,10aS)-6-methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinShow More⌵
Mol. Formula:
C26H32N4O4
M.W.:
464.57
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
79.16
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA249111
Name:
1-((3R,4aR,10aR)-3-(1-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazine-4-cShow More⌵
Mol. Formula:
C27H32N6O3S
M.W.:
520.66
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
91.76
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA248908
Name:
(3R,4aR,10aR)-3-(1-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazine-4-carbShow More⌵
Mol. Formula:
C26H30N6O3S
M.W.:
506.63
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
91.76
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE