Compounds

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ALA113164
Name:
(E)-(2S,6S,8S,9R)-6,8,9-Trihydroxy-12-methyl-2-propyl-1-oxa-4-aza-cyclooctaShow More⌵
Mol. Formula:
C30H55NO6
M.W.:
525.77
23 activity values
18 unique targets
Type:
Small molecule
AlogP:
5.49
Polar Surface Area:
116.09
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA442007
Name:
(12Z,14E)-(2S,6S,8S,9R,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-methoxymetShow More⌵
Mol. Formula:
C35H61NO8
M.W.:
623.87
25 activity values
18 unique targets
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA108079
Name:
(E)-(2R,6R,7R,8R,9S,10S)-6,7,8,9,10-Pentahydroxy-2-propyl-1-oxa-4-aza-cycloShow More⌵
Mol. Formula:
C29H53NO8
M.W.:
543.74
23 activity values
18 unique targets
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
156.55
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA109145
Name:
(E)-(2S,6R,7R,8R,9S,10S)-6,7,8,9,10-Pentahydroxy-2-propyl-1-oxa-4-aza-cycloShow More⌵
Mol. Formula:
C29H53NO8
M.W.:
543.74
23 activity values
18 unique targets
Type:
Small molecule
AlogP:
3.04
Polar Surface Area:
156.55
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA108758
Name:
(Z)-(2S,6S,8S,9R,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-methoxymethyl-25Show More⌵
Mol. Formula:
C35H63NO8
M.W.:
625.89
20 activity values
14 unique targets
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE