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ALA4878798 Name:
(S)-2-(4-methylphenylsulfonamido)-5-oxo-5-(phenyla
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Mol. Formula:
C18H20N2O5S
M.W.:
376.43
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
112.57
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4876787 Name:
N'1-(naphthalen-1-ylmethylene)-N'5-(naphthalen-2-y
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Mol. Formula:
C27H24N4O2
M.W.:
436.51
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
82.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4876358 Name:
N-(2-methyl-3-phenylallylidene)-4-(2-(2-methyl-3-p
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Mol. Formula:
C26H25N3O2S
M.W.:
443.57
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
70.89
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4876041 Name:
(S)-2-(4-(2,4-dichlorophenoxy)butanamido)-3-(1H-in
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Cas Number:
5462-19-1
Mol. Formula:
C21H20Cl2N2O4
M.W.:
435.31
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
91.42
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4874261 Name:
3-(2,5-dimethoxyphenylcarbamoyl)naphthalen-2-yl 5-
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Mol. Formula:
C27H23ClN2O6
M.W.:
506.94
Type:
Unknown
AlogP:
6.38
Polar Surface Area:
95.12
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4871337 Name:
(Z)-2-(5-fluoro-2-methyl-1-(3-methylbenzylidene)-1
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Mol. Formula:
C20H17FO2
M.W.:
308.35
Type:
Unknown
AlogP:
4.94
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4870772 Name:
(Z)-2-(5-fluoro-1-(4-fluorobenzylidene)-2-methyl-1
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Mol. Formula:
C19H14F2O2
M.W.:
312.31
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4870096 Name:
(Z)-2-(5-fluoro-1-(3-isopropylbenzylidene)-2-methy
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Mol. Formula:
C22H21FO2
M.W.:
336.41
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4869272 Name:
(S)-5-(4-methoxyphenylamino)-2-(4-methylphenylsulf
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Mol. Formula:
C19H22N2O6S
M.W.:
406.46
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
121.80
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5287514 Name:
4-chloro-N1-(3-methylbenzyl)-N3-phenylisophthalami
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Mol. Formula:
C22H19ClN2O2
M.W.:
378.86
Type:
---
AlogP:
4.83
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5287383 Name:
2-((2R,4R)-1-(4-(((3R,4R)-1-(5-ethoxy-2-fluorophen
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Mol. Formula:
C27H32F4N2O4
M.W.:
524.56
Type:
---
AlogP:
5.75
Polar Surface Area:
62.24
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5287267 Name:
6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-(2
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Mol. Formula:
C26H25NO5
M.W.:
431.49
Type:
---
AlogP:
5.10
Polar Surface Area:
96.72
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5286808 Name:
N1-benzyl-4-fluoro-N3-phenylisophthalamide
Mol. Formula:
C21H17FN2O2
M.W.:
348.38
Type:
---
AlogP:
4.01
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5285235 Name:
2-((2S,3S,4S)-1-(4-(((3R,4R)-1-(5-chloro-2-methoxy
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Mol. Formula:
C25H31ClFN3O5
M.W.:
507.99
Type:
---
AlogP:
4.05
Polar Surface Area:
84.36
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5284791 Name:
Methyl (3-(3,5-dimethoxyphenyl)-2-(4-(4-((2,4-diox
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Mol. Formula:
C28H25NO7S
M.W.:
519.58
Type:
---
AlogP:
5.10
Polar Surface Area:
100.16
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5284640 Name:
(S)-2-(4-((5-((1-(3-cyclopropylphenyl)ethyl)carbam
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Mol. Formula:
C33H36N2O3
M.W.:
508.66
Type:
---
AlogP:
7.04
Polar Surface Area:
71.33
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5284621 Name:
(4R,5S,Z)-3-Hexylidene-4-hydroxy-S-methyldihydrofu
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Mol. Formula:
C11H18O3
M.W.:
198.26
Type:
---
AlogP:
1.80
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5284432 Name:
(3E,3'E,4S,4'S,5S,5'S)-3,3'-(decane-1,10-diylidene
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Mol. Formula:
C20H30O6
M.W.:
366.45
Type:
---
AlogP:
2.57
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5283731 Name:
(4R,5S,Z)-3-Butylidene-4-hydroxy-5-methyldihydrofu
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Mol. Formula:
C9H14O3
M.W.:
170.21
Type:
---
AlogP:
1.02
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.50
DETAILS
CLOSE
ALA5283315 Name:
2-((2R,4S)-1-(4-(((3R,4R)-1-(5-ethoxy-2-fluorophen
Show More⌵
Mol. Formula:
C32H37FN2O4
M.W.:
532.66
Type:
---
AlogP:
6.36
Polar Surface Area:
62.24
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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