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ALA4215877 Name:
Wilforgine
Mol. Formula:
C41H47NO19
M.W.:
857.81
Type:
Small molecule
AlogP:
1.75
Polar Surface Area:
265.89
HBA:
20
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4205236 Name:
Euonymine
Mol. Formula:
C38H47NO18
M.W.:
805.78
Type:
Small molecule
AlogP:
1.03
Polar Surface Area:
252.75
HBA:
19
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3527528 Name:
NA
Mol. Formula:
M.W.:
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3527413 Name:
(S)-2-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-(phenethylcarbamothioylthShow More⌵
Mol. Formula:
C19H26N4O6S2
M.W.:
470.57
Type:
Small molecule
AlogP:
-0.29
Polar Surface Area:
170.85
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3526822 Name:
(S)-2-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-(phenethylcarbamoylthio)pShow More⌵
Mol. Formula:
C19H26N4O7S
M.W.:
454.51
Type:
Small molecule
AlogP:
-0.45
Polar Surface Area:
187.92
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3526440 Name:
[14C]-(2S,3S,4S,5R,6S)-6-(3-(3-ethoxy-1-(4-((2-phenylthiazol-4-yl)methoxy)bShow More⌵
Mol. Formula:
C31H33N3O10S
M.W.:
639.68
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
182.69
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
15.27
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
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