Compounds

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ALA5192006
Name:
[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(4-methylbenzoyl)amino]-2-Show More⌵
Mol. Formula:
C16H24NO8PS
M.W.:
421.41
1 activity values
1 unique targets
Type:
---
AlogP:
0.67
Polar Surface Area:
134.55
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1254520
Name:
Methyl-3-(4-methoxycarbonyl-1H-[1,2,3]-triazol-1-yl)-3-deoxy-1-thio-beta-D-Show More⌵
Mol. Formula:
C11H17N3O6S
M.W.:
319.34
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.59
Polar Surface Area:
126.93
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1253739
Name:
Methyl-3-deoxy-3-(4-hydroxymethyl-1H-[1,2,3]-triazol-1-yl)-1-thio-beta-D-gaShow More⌵
Mol. Formula:
C10H17N3O5S
M.W.:
291.33
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.89
Polar Surface Area:
120.86
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1253738
Name:
Methyl-3-deoxy-3-(4-propyl-1H-[1,2,3]-triazol-1-yl)-1-thio-beta-D-galactopyShow More⌵
Mol. Formula:
C12H21N3O4S
M.W.:
303.38
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
-0.43
Polar Surface Area:
100.63
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1253737
Name:
Methyl 3-deoxy-3-(1H-[1,2,3]-triazol-1-yl)-1-thio-beta-Dgalactopyranoside
Mol. Formula:
C9H15N3O4S
M.W.:
261.30
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
-1.38
Polar Surface Area:
100.63
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE