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Type:
Small molecule
AlogP:
6.56
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA373801 Name:
DHA-SB-T-1104
Mol. Formula:
C67H91NO16
M.W.:
1166.46
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA267441 Name:
DHA-SB-T-1214
Mol. Formula:
C67H89NO16
M.W.:
1164.44
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA413474 Name:
DHA-SB-T-1103
Mol. Formula:
C66H91NO16
M.W.:
1154.44
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA374359 Name:
DHA-SB-T-1213
Mol. Formula:
C66H89NO16
M.W.:
1152.43
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA219521 Name:
DHA-Docetaxel
Mol. Formula:
C65H83NO15
M.W.:
1118.37
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA380432 Name:
SB-T-1217
Mol. Formula:
C43H57NO16
M.W.:
843.92
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
239.75
HBA:
16
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA203874 Name:
SB-T-1104
Mol. Formula:
C45H61NO15
M.W.:
855.97
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
230.52
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA204644 Name:
SB-T-1216
Mol. Formula:
C44H60N2O15
M.W.:
856.96
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
233.76
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA438238 Name:
DHA-SB-T-1217
Mol. Formula:
C65H87NO17
M.W.:
1154.40
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA98323 Name:
3-(4-fluoro-3-nitrophenyl)-1,2,3-oxadiazol-3-ium-5
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Mol. Formula:
C8H4FN3O4
M.W.:
225.13
Type:
Small molecule
AlogP:
0.07
Polar Surface Area:
96.11
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA97909 Name:
3-[4-(diethylamino)-3-nitrophenyl]-1,2,3-oxadiazol
Show More⌵
Mol. Formula:
C12H14N4O4
M.W.:
278.27
Type:
Small molecule
AlogP:
0.78
Polar Surface Area:
99.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA98684 Name:
3-[4-(2,3-dihydro-1H-indol-1-yl)-3-nitrophenyl]-1,
Show More⌵
Mol. Formula:
C16H12N4O4
M.W.:
324.30
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
99.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA321573 Name:
3-[4-(1,3-dihydro-2H-isoindol-2-yl)-3-nitrophenyl]
Show More⌵
Mol. Formula:
C16H12N4O4
M.W.:
324.30
Type:
Small molecule
AlogP:
1.45
Polar Surface Area:
99.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA317141 Name:
3-(4-azetidin-1-yl-3-nitrophenyl)-1,2,3-oxadiazol-
Show More⌵
Mol. Formula:
C11H10N4O4
M.W.:
262.23
Type:
Small molecule
AlogP:
0.14
Polar Surface Area:
99.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA100094 Name:
3-(4-chloro-3-nitrophenyl)-1,2,3-oxadiazol-3-ium-5
Show More⌵
Mol. Formula:
C8H4ClN3O4
M.W.:
241.59
Type:
Small molecule
AlogP:
0.59
Polar Surface Area:
96.11
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA291809 Name:
4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2
Show More⌵
Cas Number:
117095-64-4
Mol. Formula:
C26H28ClNO2
M.W.:
421.97
Type:
Small molecule
AlogP:
6.27
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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