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ALA4514344 Name:
(1S)-1,5-anhydro-1-[5-({4-[(1E)-3,3-dimethyl-4-{[2
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Mol. Formula:
C38H55N3O8
M.W.:
681.87
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
152.03
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4524341 Name:
(1S)-1,5-anhydro-1-{2-hydroxy-5-[(4-{(1E)-4-[(1-hy
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Mol. Formula:
C30H41NO8
M.W.:
543.66
Type:
Unknown
AlogP:
1.73
Polar Surface Area:
159.71
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4521016 Name:
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3R)-tetrahydr
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Cas Number:
864070-43-9
Mol. Formula:
C23H27ClO7
M.W.:
450.92
Type:
Unknown
AlogP:
1.61
Polar Surface Area:
108.61
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4554040 Name:
(1S)-1,5-anhydro-1-{5-[(4-{(1E)-4-[(1-{[2-(dimethy
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Cas Number:
1240305-17-2
Mol. Formula:
C37H55N3O8
M.W.:
669.86
Type:
Unknown
AlogP:
2.54
Polar Surface Area:
160.82
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4551742 Name:
(1S)-1,5-Anhydro-1-{5-[(4-{(1E)-4-[(1-hydroxy-2-me
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Mol. Formula:
C33H47NO8
M.W.:
585.74
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
148.71
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4765036 Name:
4-(2-Phenylethyl)-1H-indazol-3-yl beta-D-glucopyra
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Mol. Formula:
C21H24N2O6
M.W.:
400.43
Type:
Unknown
AlogP:
0.53
Polar Surface Area:
128.06
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4591009 Name:
(1S)-1,5-anhydro-1-[5-({4-[(1E)-3,3-dimethyl-4-{[2
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Mol. Formula:
C37H53N3O8
M.W.:
667.84
Type:
Unknown
AlogP:
2.29
Polar Surface Area:
160.82
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4752053 Name:
5-Methyl-4-(3-methylbenzyl)-1H-pyrazol-3-yl beta-D
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Mol. Formula:
C18H24N2O6
M.W.:
364.40
Type:
Unknown
AlogP:
-0.20
Polar Surface Area:
128.06
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4795938 Name:
5-Isopropyl-4-[4-(methylsulfanyl)benzyl]-1H-pyrazo
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Mol. Formula:
C20H28N2O6S
M.W.:
424.52
Type:
Unknown
AlogP:
1.02
Polar Surface Area:
128.06
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4793115 Name:
4-Benzyl-5-methyl-1H-pyrazol-3-yl beta-D-glucopyra
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Mol. Formula:
C17H22N2O6
M.W.:
350.37
Type:
Unknown
AlogP:
-0.51
Polar Surface Area:
128.06
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4791676 Name:
5-Methyl-4-(3-phenylpropyl)-1H-pyrazol-3-yl beta-D
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Mol. Formula:
C19H26N2O6
M.W.:
378.43
Type:
Unknown
AlogP:
0.07
Polar Surface Area:
128.06
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4790263 Name:
5-Methyl-4-(2-phenylethyl)-1H-pyrazol-3-yl beta-D-
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Mol. Formula:
C18H24N2O6
M.W.:
364.40
Type:
Unknown
AlogP:
-0.32
Polar Surface Area:
128.06
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4787524 Name:
4-(4-Isopropoxybenzyl)-5-methyl-1-propyl-1H-pyrazo
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Mol. Formula:
C23H34N2O7
M.W.:
450.53
Type:
Unknown
AlogP:
1.16
Polar Surface Area:
126.43
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4786882 Name:
1-Ethyl-4-(4-isopropoxybenzyl)-5-methyl-1H-pyrazol
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Mol. Formula:
C22H32N2O7
M.W.:
436.51
Type:
Unknown
AlogP:
0.77
Polar Surface Area:
126.43
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5288495 Name:
(2S,3R,4R,6R)-2-(4-chloro-3-(4-ethylbenzyl)phenyl)
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Mol. Formula:
C21H23ClF2O4
M.W.:
412.86
Type:
---
AlogP:
3.28
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4462515 Name:
(1S)-1,5-anhydro-1-{5-[(2-chloro-4-{(1E)-4-[(1-hyd
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Mol. Formula:
C31H42ClNO7
M.W.:
576.13
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
139.48
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4460788 Name:
(1S)-1,5-anhydro-1-{2-hydroxy-5-[(4-{(1E)-4-[(1-hy
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Mol. Formula:
C32H45NO8
M.W.:
571.71
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
159.71
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4460379 Name:
(1S)-1,5-anhydro-1-(5-{[4-{(1E)-4-[(1-hydroxy-2-me
Show More⌵
Mol. Formula:
C34H49NO7
M.W.:
583.77
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
139.48
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4099324 Name:
3-(4-Propyloxyphenyl)-1-[3-(beta-D-glucopyranosyl)
Show More⌵
Mol. Formula:
C24H30O10
M.W.:
478.49
Type:
Small molecule
AlogP:
0.92
Polar Surface Area:
177.14
HBA:
10
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4097849 Name:
(1S,2S,3R,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phe
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Mol. Formula:
C24H27ClO7
M.W.:
462.93
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
97.61
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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