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ALA5280413 Name:
Ferroptocide
Mol. Formula:
C30H36ClN3O7
M.W.:
586.09
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.03
Polar Surface Area:
132.76
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5190386 Name:
(E)-1-(4-(3,3,3-trifluoro-1-(phenylsulfonyl)prop-1-en-1-yl)phenyl)ethan-1-oShow More⌵
Mol. Formula:
C17H13F3O3S
M.W.:
354.35
Type:
---
AlogP:
4.27
Polar Surface Area:
51.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5094482 Name:
Mol. Formula:
C32H38ClN3O8
M.W.:
628.12
Type:
Unknown
AlogP:
2.61
Polar Surface Area:
138.83
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5094281 Name:
Mol. Formula:
C30H36FN3O7
M.W.:
569.63
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
132.76
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5094255 Name:
Mol. Formula:
C46H57BF2IN7O8
M.W.:
1011.71
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5092056 Name:
Mol. Formula:
C32H38ClNO7
M.W.:
584.11
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
121.21
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5090711 Name:
Mol. Formula:
C31H37Cl2N3O7
M.W.:
634.56
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
121.76
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5086879 Name:
Mol. Formula:
C30H36IN3O7
M.W.:
677.54
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
132.76
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5086227 Name:
Mol. Formula:
C31H38ClN3O7
M.W.:
600.11
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
121.76
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5083710 Name:
Mol. Formula:
C34H39N3O8
M.W.:
617.70
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
134.90
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5083529 Name:
Mol. Formula:
C29H36ClNO7
M.W.:
546.06
Type:
Unknown
AlogP:
2.24
Polar Surface Area:
121.21
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5079094 Name:
Mol. Formula:
C31H39N3O7
M.W.:
565.67
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
121.76
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5078301 Name:
Mol. Formula:
C46H57BClF2N7O8
M.W.:
920.26
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5076207 Name:
Mol. Formula:
C32H39N3O9
M.W.:
609.68
Type:
Unknown
AlogP:
1.36
Polar Surface Area:
159.06
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5075911 Name:
Mol. Formula:
C30H36ClN3O7
M.W.:
586.09
Type:
Unknown
AlogP:
2.03
Polar Surface Area:
132.76
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5073225 Name:
Mol. Formula:
C22H31ClO5
M.W.:
410.94
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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