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ALA4483426 Name:
Acrylic acid 2-acryloyloxy-5-[(1S,3S,9R,11R)-4,4,1
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Mol. Formula:
C44H54O8
M.W.:
710.91
Type:
Unknown
AlogP:
9.36
Polar Surface Area:
113.04
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4474915 Name:
5-Chloro-N4-(4-chlorophenyl)-N2-(1H-pyrazol-4-yl)p
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Mol. Formula:
C13H10Cl2N6
M.W.:
321.17
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
78.52
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4522763 Name:
NA
Mol. Formula:
C44H62O8
M.W.:
718.97
Type:
Unknown
AlogP:
10.33
Polar Surface Area:
108.36
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4530933 Name:
6-Bromo-hexanoic acid 2-hydroxy-5-[(1S,3S,9R,11R)-
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Mol. Formula:
C44H59BrO7
M.W.:
779.85
Type:
Unknown
AlogP:
10.74
Polar Surface Area:
106.97
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4558234 Name:
(1S,3S,9R,11R)-7-(3,4-Bis-prop-2-ynyloxy-benzoyl)-
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Mol. Formula:
C44H54O6
M.W.:
678.91
Type:
Unknown
AlogP:
9.20
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4556095 Name:
(1S,3S,9R,11R)-7-(3,4-Bis-allyloxy-benzoyl)-4,4,10
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Mol. Formula:
C44H58O6
M.W.:
682.94
Type:
Unknown
AlogP:
10.31
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4567612 Name:
(1S,3S,9R,11R)-7-[3,4-Bis-(3-methyl-but-2-enyloxy)
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Mol. Formula:
C48H66O6
M.W.:
739.05
Type:
Unknown
AlogP:
11.87
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4530752 Name:
(1S,3S,9R,11R)-7-[4-(5-Bromo-pentyloxy)-3-hydroxy-
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Mol. Formula:
C43H59BrO6
M.W.:
751.84
Type:
Unknown
AlogP:
10.83
Polar Surface Area:
89.90
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4526517 Name:
(1S,3S,9R,11R)-7-(3,4-Bis-benzyloxy-benzoyl)-4,4,1
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Mol. Formula:
C52H62O6
M.W.:
783.06
Type:
Unknown
AlogP:
12.34
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4516962 Name:
NA
Mol. Formula:
C50H72O9
M.W.:
817.12
Type:
Unknown
AlogP:
12.11
Polar Surface Area:
114.43
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4516322 Name:
(1S,3S,9R,11R)-7-[3,4-Bis-(5-diethylamino-pentylox
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Mol. Formula:
C56H88N2O6
M.W.:
885.33
Type:
Unknown
AlogP:
12.96
Polar Surface Area:
85.38
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4515181 Name:
NA
Mol. Formula:
C42H56O9
M.W.:
704.90
Type:
Unknown
AlogP:
8.99
Polar Surface Area:
114.43
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4744459 Name:
7-O-(2-Bromoacetate)-fangchinoline
Mol. Formula:
C39H41BrN2O7
M.W.:
729.67
Type:
Unknown
AlogP:
7.45
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4743937 Name:
7-O-Cydopropyl-fangchinoline
Mol. Formula:
C41H44N2O7
M.W.:
676.81
Type:
Unknown
AlogP:
7.47
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4743848 Name:
7-O-(2,4-DichlorobenzoyI)-fangchinoline
Mol. Formula:
C44H42Cl2N2O7
M.W.:
781.73
Type:
Unknown
AlogP:
9.68
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4742091 Name:
1-((2R,4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymet
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Mol. Formula:
C10H12F2N2O6
M.W.:
294.21
Type:
Unknown
AlogP:
-1.60
Polar Surface Area:
113.78
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4741612 Name:
7-O-(4-Chlorobutanoate)-fangchinolin
Mol. Formula:
C41H45ClN2O7
M.W.:
713.27
Type:
Unknown
AlogP:
8.08
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4741272 Name:
7-O-(2,4,6-TrichlorobenzoyI)-fangchinoline
Mol. Formula:
C44H41Cl3N2O7
M.W.:
816.18
Type:
Unknown
AlogP:
10.33
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4765082 Name:
7-O-(3-Methylcrotonoyl)-fangchinoline
Mol. Formula:
C42H46N2O7
M.W.:
690.84
Type:
Unknown
AlogP:
8.03
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4764451 Name:
7-O-(3-Chloropropanoate)-fangchinoline
Mol. Formula:
C40H43ClN2O7
M.W.:
699.24
Type:
Unknown
AlogP:
7.69
Polar Surface Area:
78.93
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
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