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ALA4576108 Name:
1-(3-(3-(3-chloro-5-methoxyphenyl)-4-(pyridin-4-yl
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Mol. Formula:
C28H20Cl3N5O2
M.W.:
564.86
Type:
Unknown
AlogP:
8.21
Polar Surface Area:
81.07
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4103330 Name:
4-desmethyl Englerin A
Mol. Formula:
C25H32O6
M.W.:
428.53
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4085398 Name:
4-ethyl Englerin A
Mol. Formula:
C27H36O6
M.W.:
456.58
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4062736 Name:
(-)-Englerin A
Mol. Formula:
C26H34O6
M.W.:
442.55
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4065494 Name:
4-isopropyl Englerin A
Mol. Formula:
C28H38O6
M.W.:
470.61
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4294978 Name:
2-Amino-6-bromo-4-(2-(4-chlorophenyl)-2-oxoethyl)-
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Mol. Formula:
C19H14BrClN2O3
M.W.:
433.69
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
85.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4293468 Name:
Methyl 2-amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoe
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Mol. Formula:
C19H15Br2NO4
M.W.:
481.14
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
78.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4292415 Name:
2-Amino-6-bromo-8-methoxy-4-(2-oxo-2-phenylethyl)-
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Mol. Formula:
C19H15BrN2O3
M.W.:
399.24
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
85.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4289734 Name:
Methyl 2-amino-6-bromo-4-(2-(4-chlorophenyl)-2-oxo
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Mol. Formula:
C20H17BrClNO5
M.W.:
466.71
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
87.85
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4288661 Name:
2-Amino-6,8-difluoro-4-(2-oxo-2-phenylethyl)-4H-ch
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Mol. Formula:
C18H12F2N2O2
M.W.:
326.30
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
76.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4288543 Name:
3-(5-bromo-2-hydroxyphenyl)-1-(3-methoxyphenyl)pro
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Mol. Formula:
C16H13BrO3
M.W.:
333.18
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4288267 Name:
2-Amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoethyl)-4
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Mol. Formula:
C18H12Br2N2O2
M.W.:
448.11
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
76.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4287063 Name:
2-Amino-6-bromo-8-methoxy-4-(2-(3-methoxyphenyl)-2
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Mol. Formula:
C20H17BrN2O4
M.W.:
429.27
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
94.57
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4286616 Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-phenylprop
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Mol. Formula:
C16H13BrO3
M.W.:
333.18
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4284851 Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(p-tolyl)p
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Mol. Formula:
C17H15BrO3
M.W.:
347.21
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4283805 Name:
3-(5-bromo-2-hydroxyphenyl)-1-(p-tolyl)prop-2-en-1
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Mol. Formula:
C16H13BrO2
M.W.:
317.18
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4283259 Name:
3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(3-methoxy
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Mol. Formula:
C17H15BrO4
M.W.:
363.21
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4281455 Name:
2-Amino-6-bromo-4-(2-(3-methoxyphenyl)-2-oxoethyl)
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Mol. Formula:
C19H15BrN2O3
M.W.:
399.24
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
85.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4280645 Name:
3-(3,5-difluoro-2-hydroxyphenyl)-1-phenylprop-2-en
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Mol. Formula:
C15H10F2O2
M.W.:
260.24
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4280344 Name:
3-(5-bromo-2-hydroxyphenyl)-1-(4-bromophenyl)prop-
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Mol. Formula:
C15H10Br2O2
M.W.:
382.05
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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