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ALA4878771 Name:
NA
Mol. Formula:
C73H87N17O11S2
M.W.:
1442.74
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4876757 Name:
2,2',2''-((1R,5S,8S,12S,16S,20S,23R,26S,29S,32S,35
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Mol. Formula:
C84H104N20O21S2
M.W.:
1794.01
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4875336 Name:
N-(4-(3-fluorobenzyloxy)phenyl)-3-phenylisoxazolo[
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Mol. Formula:
C24H17FN4O2
M.W.:
412.42
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
73.07
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4874525 Name:
NA
Mol. Formula:
C98H124N24O23S2
M.W.:
2070.35
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4873736 Name:
NA
Mol. Formula:
C92H115N21O19S2
M.W.:
1883.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4872992 Name:
NA
Mol. Formula:
C68H104N18O20S2
M.W.:
1557.82
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1097418 Name:
merulins C
Mol. Formula:
C14H22O5
M.W.:
270.32
Type:
Small molecule
AlogP:
0.97
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1098423 Name:
merulins B
Mol. Formula:
C14H22O5
M.W.:
270.32
Type:
Small molecule
AlogP:
0.97
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4861037 Name:
2,2'-((6S,10R,13S,16S,19S,22S,26R,29S,31aR,36aS)-1
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Mol. Formula:
C74H88N16O14
M.W.:
1425.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4849365 Name:
NA
Mol. Formula:
C92H115N21O19S2
M.W.:
1883.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4847844 Name:
Sipholenol A-4-O-3',4'-dichlorobenzoate
Mol. Formula:
C37H54Cl2O6
M.W.:
665.74
Type:
Unknown
AlogP:
8.31
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4781556 Name:
(4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)(1-(4-f
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Mol. Formula:
C20H19BrFN5O3S
M.W.:
508.37
Type:
Unknown
AlogP:
2.37
Polar Surface Area:
88.40
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4847480 Name:
NA
Mol. Formula:
C81H97N19O17S2
M.W.:
1672.92
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4757392 Name:
(1-Benzyl-1H-1,2,3-triazol-4-yl)(4-tosylpiperazin-
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Mol. Formula:
C21H23N5O3S
M.W.:
425.51
Type:
Unknown
AlogP:
1.78
Polar Surface Area:
88.40
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4756332 Name:
(4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)(1-(4-i
Show More⌵
Mol. Formula:
C20H19BrIN5O3S
M.W.:
616.28
Type:
Unknown
AlogP:
2.84
Polar Surface Area:
88.40
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5267430 Name:
3-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldeca
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Mol. Formula:
C34H54N2O9
M.W.:
634.81
Type:
---
AlogP:
4.87
Polar Surface Area:
128.96
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5266942 Name:
(S,E)-2-Acetyl-3,7,9-trihydroxy-8,9b-dimethyl-6-(3
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Mol. Formula:
C26H19F3O8
M.W.:
516.42
Type:
---
AlogP:
4.72
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5206752 Name:
(S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N
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Mol. Formula:
C39H65N5O7
M.W.:
715.98
Type:
---
AlogP:
3.17
Polar Surface Area:
137.59
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5202183 Name:
(S)-N-((3R,4S,5S)-1-((2S,4S)-4-amino-2-((1R,2R)-3-
Show More⌵
Mol. Formula:
C39H66F2N6O6
M.W.:
752.99
Type:
---
AlogP:
3.21
Polar Surface Area:
146.54
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5201949 Name:
Mol. Formula:
C46H74N4O3S
M.W.:
763.19
Type:
---
AlogP:
10.00
Polar Surface Area:
90.54
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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