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ALA4861888 Name:
NA
Mol. Formula:
C73H107N23O25S2
M.W.:
1770.93
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5203781 Name:
2-((6S,12R,17R,20S,23S,25aS,31S,34S,37S,40S,43R,46
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Mol. Formula:
C62H96N22O21S4
M.W.:
1613.85
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4582201 Name:
endo-3-(6-Chloropyridin-3-yl)bicyclo[2.2.1]heptan-
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Mol. Formula:
C12H15ClN2
M.W.:
222.72
Type:
Unknown
AlogP:
2.58
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA4225359 Name:
(S)-N-(2-chlorobenzyl)quinuclidin-3-amine
Mol. Formula:
C14H19ClN2
M.W.:
250.77
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
15.27
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.89
DETAILS
CLOSE
ALA4061049 Name:
1-ethyl-4-phenylthiomorpholin-1-ium trifluorometha
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Mol. Formula:
C13H18F3NO3S2
M.W.:
357.42
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.67
DETAILS
CLOSE
ALA2371820 Name:
4-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentana
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Mol. Formula:
C83H137N31O28S4
M.W.:
2145.47
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2062630 Name:
rac-4-bromophenyl 6-methyl-3,6-diaza-bicyclo[3.3.1
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Mol. Formula:
C15H19BrN2O2
M.W.:
339.23
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
32.78
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA595312 Name:
GCCSRPPCIANNPDLC
Mol. Formula:
C65H107N21O22S4
M.W.:
1662.96
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA189861 Name:
5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'
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Mol. Formula:
C19H20N2O
M.W.:
292.38
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
25.36
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA405936 Name:
(16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim
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Mol. Formula:
C37H41N2O6+
M.W.:
609.74
Type:
Small molecule
AlogP:
6.70
Polar Surface Area:
80.62
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA412032 Name:
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2
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Mol. Formula:
C65H97N23O24S4
M.W.:
1712.90
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA409988 Name:
(3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(
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Mol. Formula:
C65H99N19O22S4
M.W.:
1626.89
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
25.36
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA371808 Name:
1H-Indole-3-carboxylic acid 1-(1-methyl-pyrrolidin
Show More⌵
Mol. Formula:
C18H24N2O2
M.W.:
300.40
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
45.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
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