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ALA4860632 Name:
Demethoxy-cornuside
Mol. Formula:
C23H28O14
M.W.:
528.46
Type:
Unknown
AlogP:
-1.09
Polar Surface Area:
232.90
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4864856 Name:
Secologanoside
Mol. Formula:
C16H22O11
M.W.:
390.34
Type:
Unknown
AlogP:
-1.98
Polar Surface Area:
183.21
HBA:
9
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4862269 Name:
Secoxyloganin
Mol. Formula:
C17H24O11
M.W.:
404.37
Type:
Unknown
AlogP:
-1.89
Polar Surface Area:
172.21
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4085241 Name:
rac-5-((1S,2R)-6-fluoro-2,5-dihydroxy-4,4-dimethyl
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Mol. Formula:
C22H20F4N2O3
M.W.:
436.41
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
85.35
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3986969 Name:
N-{4-(3-Methoxyphenoxy)phenyl}benzenesulfonamide
Mol. Formula:
C19H17NO4S
M.W.:
355.42
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
64.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4082878 Name:
5-(4-(3-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl
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Mol. Formula:
C22H22F4N2O3
M.W.:
438.42
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
85.35
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3983437 Name:
1-(3,5-difluorobenzyl)-5-(2-oxo-2H-chromen-6-yl)-1
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Mol. Formula:
C21H12F2N2O2
M.W.:
362.33
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
58.93
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3983391 Name:
N-(4-Phenoxyphenyl)methanesulfonamide
Cas Number:
30118-32-2
Mol. Formula:
C13H13NO3S
M.W.:
263.32
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA3982227 Name:
N-(4-Phenoxyphenyl)-2-chlorobenzenesulfonamide
Mol. Formula:
C18H14ClNO3S
M.W.:
359.83
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
55.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3980435 Name:
N-Methyl-N-(4-phenoxyphenyl)-2-chlorobenzenesulfon
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Mol. Formula:
C19H16ClNO3S
M.W.:
373.86
Type:
Small molecule
AlogP:
4.96
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3975572 Name:
5-(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)-1-met
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Mol. Formula:
C16H12N2O3
M.W.:
280.28
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
79.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3975442 Name:
1-(4-nitrobenzyl)-5-(2-oxo-2H-chromen-6-yl)-1H-pyr
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Mol. Formula:
C21H13N3O4
M.W.:
371.35
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
102.07
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3975017 Name:
6-(5-methylthiophen-2-yl)-2H-chromen-2-one
Mol. Formula:
C14H10O2S
M.W.:
242.30
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
30.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3974043 Name:
1-benzyl-5-(7-(diethylamino)-2-oxo-2H-chromen-6-yl
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Mol. Formula:
C25H23N3O2
M.W.:
397.48
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
62.17
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3972388 Name:
N-(4-Bromophenyl)-3-chlorobenzenesulfonamide
Mol. Formula:
C12H9BrClNO2S
M.W.:
346.63
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA3971739 Name:
N-Methyl-N-(4-phenoxyphenyl)-3-methoxybenzenesulfo
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Mol. Formula:
C20H19NO4S
M.W.:
369.44
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
55.84
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
Type:
Unknown
AlogP:
-1.00
Polar Surface Area:
221.90
HBA:
14
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5077912 Name:
(8R,9S,10R,11S,13S,14S,17S)-17-acetyl-11,13-dimeth
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Mol. Formula:
C23H32O4
M.W.:
372.51
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4175249 Name:
8-Fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan
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Mol. Formula:
C17H10F7NO2
M.W.:
393.26
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
53.09
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4174942 Name:
4-Fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan
Show More⌵
Mol. Formula:
C16H8F7NO2
M.W.:
379.23
Type:
Small molecule
AlogP:
4.13
Polar Surface Area:
53.09
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
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