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ALA4088576 Name:
3-(2-(naphthalen-1-yloxy)acetamido)benzoic acid
Mol. Formula:
C19H15NO4
M.W.:
321.33
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3799389 Name:
Cyclopropanecarboxylic acid {3-[hydroxyimino]-2'-o
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Mol. Formula:
C20H16N4O3
M.W.:
360.37
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
102.82
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3797466 Name:
3-Methyl-but-2-enoic acid {3-[hydroxyimino]-2'-oxo
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Mol. Formula:
C21H18N4O3
M.W.:
374.40
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
102.82
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3799505 Name:
N-{3-[Hydroxyimino]-2'-oxo-1,3,1',2'-tetrahydro-[2
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Mol. Formula:
C22H22N4O3
M.W.:
390.44
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
102.82
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1094005 Name:
2-(4-methyl-3-nitrophenyl)-4-(pyridin-3-ylmethylen
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Mol. Formula:
C16H11N3O4
M.W.:
309.28
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
94.69
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1094004 Name:
2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazo
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Mol. Formula:
C16H12N2O3
M.W.:
280.28
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
60.78
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1090983 Name:
2-(3,4-dimethoxyphenyl)-4-(pyridin-3-ylmethylene)o
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Mol. Formula:
C17H14N2O4
M.W.:
310.31
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
70.01
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1091426 Name:
2-(3-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle
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Mol. Formula:
C16H11BrN2O3
M.W.:
359.18
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
60.78
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1091042 Name:
2-(2-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle
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Mol. Formula:
C16H11BrN2O3
M.W.:
359.18
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
60.78
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1091041 Name:
2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-
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Mol. Formula:
C15H9BrN2O2
M.W.:
329.15
Type:
Small molecule
AlogP:
3.19
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1092140 Name:
2-(2,4-dichlorophenyl)-4-(pyridin-3-ylmethylene)ox
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Mol. Formula:
C15H8Cl2N2O2
M.W.:
319.15
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1092139 Name:
2-(4-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-
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Mol. Formula:
C15H9N3O4
M.W.:
295.25
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
94.69
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1091767 Name:
4-(pyridin-3-ylmethylene)-2-(3,4,5-trimethoxypheny
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Mol. Formula:
C18H16N2O5
M.W.:
340.34
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
79.24
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1091766 Name:
2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylen
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Mol. Formula:
C16H11BrN2O2
M.W.:
343.18
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1091765 Name:
2-(3-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol
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Mol. Formula:
C15H9ClN2O2
M.W.:
284.70
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1091764 Name:
2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)ox
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Mol. Formula:
C15H8F2N2O2
M.W.:
286.24
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1091787 Name:
2-(4-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol
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Mol. Formula:
C15H9ClN2O2
M.W.:
284.70
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1091786 Name:
4-(pyridin-3-ylmethylene)-2-m-tolyloxazol-5(4H)-on
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Cas Number:
313970-78-4
Mol. Formula:
C16H12N2O2
M.W.:
264.28
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1091785 Name:
2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylen
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Cas Number:
313971-05-0
Mol. Formula:
C15H8ClN3O4
M.W.:
329.70
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
94.69
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1091784 Name:
2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene
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Mol. Formula:
C15H8ClIN2O2
M.W.:
410.60
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
51.55
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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