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ALA4743471 Name:
N-(4-aminophenyl)-6-methyl-2-oxo-chromene-3-carbox
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Mol. Formula:
C17H14N2O3
M.W.:
294.31
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
85.33
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4761275 Name:
N-(4-(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazole-1
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Mol. Formula:
C21H16N6O2
M.W.:
384.40
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
115.79
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4760132 Name:
(S)-(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-y
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Mol. Formula:
C18H17N5O
M.W.:
319.37
Type:
Unknown
AlogP:
2.68
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4753701 Name:
8-bromo-6-chloro-N-(4-guanidinophenyl)-2-oxo-2H-ch
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Mol. Formula:
C17H12BrClN4O3
M.W.:
435.67
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
121.21
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4794762 Name:
N-(4-guanidinophenyl)-6-methyl-2-oxo-2H-chromene-3
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Mol. Formula:
C18H16N4O3
M.W.:
336.35
Type:
Unknown
AlogP:
2.66
Polar Surface Area:
121.21
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4098701 Name:
NA
Mol. Formula:
C94H150N34O19S3
M.W.:
2156.65
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4098557 Name:
NA
Mol. Formula:
C91H146N34O19S3
M.W.:
2116.59
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4098389 Name:
NA
Mol. Formula:
C93H147FN34O19S3
M.W.:
2160.62
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4095948 Name:
NA
Mol. Formula:
C76H126N28O17S3
M.W.:
1800.22
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4095870 Name:
NA
Mol. Formula:
C90H150N34O19S3
M.W.:
2108.61
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4094726 Name:
NA
Mol. Formula:
C81H136N32O18S3
M.W.:
1942.39
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4104508 Name:
NA
Mol. Formula:
C89H148N34O19S3
M.W.:
2094.58
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4104497 Name:
NA
Mol. Formula:
C95H148N34O19S4
M.W.:
2198.72
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4103767 Name:
NA
Mol. Formula:
C94H147N35O18S3
M.W.:
2151.64
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4103630 Name:
NA
Mol. Formula:
C87H144N34O19S3
M.W.:
2066.53
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4102962 Name:
NA
Mol. Formula:
C92H147N35O19S3
M.W.:
2143.62
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4102477 Name:
NA
Mol. Formula:
C83H140N30O18S3
M.W.:
1942.43
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4101795 Name:
NA
Mol. Formula:
C82H137N29O18S3
M.W.:
1913.38
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4101181 Name:
NA
Mol. Formula:
C94H156N34O19S3
M.W.:
2162.70
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4101024 Name:
NA
Mol. Formula:
C94H152N34O19S3
M.W.:
2158.67
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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