Compounds

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ALA4099819
Name:
5-O-(Dodecylparoxetine)tobramycin hexahydrochloride
Mol. Formula:
C49H85Cl6FN6O12
M.W.:
1181.96
67 activity values
6 unique targets
Type:
Small molecule
AlogP:
1.68
Polar Surface Area:
288.10
HBA:
18
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4092073
Name:
5-O-((12-(4-(Naphthalen-1-ylmethyl)piperazin-1-yl)dodecyl)tobramycin heptahShow More⌵
Mol. Formula:
C45H84Cl7N7O9
M.W.:
1115.38
68 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.60
Polar Surface Area:
263.65
HBA:
16
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4061557
Name:
(2R,4R)-4-(aminomethyl)-1-(12-((1S,2S,3R,5S,6R)-3,5-diamino-2-((2S,3R,4S,5SShow More⌵
Mol. Formula:
C56H89N9O11
M.W.:
1064.38
67 activity values
7 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3792857
Name:
2-mercapto-3-(2,3,6-trichlorophenyl)acrylic acid
Mol. Formula:
C9H5Cl3O2S
M.W.:
283.56
113 activity values
14 unique targets
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
37.30
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE