Compounds

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ALA1761668
Name:
N1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-3-(1H-indShow More⌵
Mol. Formula:
C36H41N5O11
M.W.:
719.75
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.29
Polar Surface Area:
265.79
HBA:
11
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1761667
Name:
N1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-3-(1H-indShow More⌵
Mol. Formula:
C30H31N5O6
M.W.:
557.61
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
186.64
HBA:
6
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1761666
Name:
N1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-3-(1H-indShow More⌵
Mol. Formula:
C36H41N5O11
M.W.:
719.75
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.29
Polar Surface Area:
265.79
HBA:
11
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1761665
Name:
p-Acetaminophenyl-alpha-D-glucopyranoside
Mol. Formula:
C14H19NO7
M.W.:
313.31
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.18
Polar Surface Area:
128.48
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA254339
Name:
(2R,3R,4R,5S)-1-(8-(3-(3H-1,2,3-triazol-4-yl)phenoxy)octyl)-2-(hydroxymethyShow More⌵
Mol. Formula:
C22H34N4O5
M.W.:
434.54
24 activity values
7 unique targets
Type:
Small molecule
AlogP:
0.95
Polar Surface Area:
134.96
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA254145
Name:
(2R,3R,4R,5S)-1-(6-(3-(3H-1,2,3-triazol-4-yl)phenoxy)hexyl)-2-(hydroxymethyShow More⌵
Mol. Formula:
C20H30N4O5
M.W.:
406.48
12 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.17
Polar Surface Area:
134.96
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE