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ALA439151 Name:
bastadin 5
Mol. Formula:
C34H27Br5N4O8
M.W.:
1019.13
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Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA213687 Name:
(+/-)-17-amino-5-bromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More⌵
Mol. Formula:
C17H17BrN2O3
M.W.:
377.24
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
84.58
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA386432 Name:
(+/-)-5-bromo-4-hydroxy-17-nitro-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More⌵
Mol. Formula:
C17H15BrN2O5
M.W.:
407.22
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
101.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA377812 Name:
S-2-azido-5-iodo-N-[4-(5,20,22-tribromo-4-hydroxy-11,15-dioxo-2-oxa-10,14-dShow More⌵
Mol. Formula:
C31H30Br3IN6O5
M.W.:
933.23
Type:
Small molecule
AlogP:
8.10
Polar Surface Area:
165.52
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA377741 Name:
S-2-azido-N-[4-(5,20-dibromo-4-hydroxy-11,15-dioxo-2-oxa-10,14-diaza-tricycShow More⌵
Mol. Formula:
C31H31Br2IN6O5
M.W.:
854.34
Type:
Small molecule
AlogP:
7.34
Polar Surface Area:
165.52
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA209427 Name:
21-azido-4-hydroxy-5-bromo-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More⌵
Mol. Formula:
C20H20BrN5O4
M.W.:
474.32
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
136.42
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA212154 Name:
21-amino-4-hydroxy-5-bromo-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More⌵
Mol. Formula:
C20H22BrN3O4
M.W.:
448.32
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
113.68
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA376941 Name:
5-bromo-4-hydroxy-20-nitro-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More⌵
Mol. Formula:
C20H20BrN3O6
M.W.:
478.30
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
130.80
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA378025 Name:
(+/-)-5-bromo-4-hydroxy-17-iodo-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecaShow More⌵
Mol. Formula:
C17H15BrINO3
M.W.:
488.12
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA210076 Name:
(+/-)-5-bromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]nonadeca-1(17),3(Show More⌵
Mol. Formula:
C17H16BrNO3
M.W.:
362.22
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA380242 Name:
(+/-)-5,15,17-tribromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More⌵
Mol. Formula:
C17H14Br3NO3
M.W.:
520.01
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA386905 Name:
(+/-)-5,17-dibromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadeca-1(Show More⌵
Mol. Formula:
C17H15Br2NO3
M.W.:
441.12
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA377464 Name:
methyl 2-azido-5-iodobenzoate
Mol. Formula:
C8H6IN3O2
M.W.:
303.06
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
75.06
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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