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ALA4879152 Name:
(3R,3aR,6R,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphe
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Mol. Formula:
C22H22O10
M.W.:
446.41
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
129.98
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4878999 Name:
NA
Mol. Formula:
C17H12BrN3O3S
M.W.:
418.27
Type:
Unknown
AlogP:
3.65
Polar Surface Area:
63.49
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4877437 Name:
NA
Mol. Formula:
C22H20O7
M.W.:
396.40
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
88.13
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4877315 Name:
NA
Mol. Formula:
C17H17NO6S
M.W.:
363.39
Type:
Unknown
AlogP:
0.52
Polar Surface Area:
98.77
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4875967 Name:
2-[2-[[4-(4-methoxyphenyl)-3H-thiazol-2-ylidene]hy
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Mol. Formula:
C20H16N4O3S
M.W.:
392.44
Type:
Unknown
AlogP:
2.93
Polar Surface Area:
87.12
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4872006 Name:
2-(2-methoxyphenyl)-4,5-bis(4-methoxyphenyl)-1H-im
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Mol. Formula:
C24H22N2O3
M.W.:
386.45
Type:
Unknown
AlogP:
5.44
Polar Surface Area:
56.37
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4871966 Name:
NA
Mol. Formula:
C29H20N4O3S
M.W.:
504.57
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
104.87
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4871765 Name:
N-benzyl-N-[[6-(chloromethyl)-7-nitro-1,2,3,4-tetr
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Mol. Formula:
C21H26ClN3O2
M.W.:
387.91
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
58.41
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4871407 Name:
NA
Cas Number:
680212-43-5
Mol. Formula:
C6H6BrN3O4S
M.W.:
296.10
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
98.31
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4870668 Name:
Mallophenol
Mol. Formula:
C26H34O12
M.W.:
538.55
Type:
Unknown
AlogP:
0.41
Polar Surface Area:
203.44
HBA:
12
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4870319 Name:
2-[4-(4-bromophenyl)-1H-imidazol-2-yl]pyridine
Cas Number:
1211593-39-3
Mol. Formula:
C14H10BrN3
M.W.:
300.16
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
41.57
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4870262 Name:
NA
Mol. Formula:
C19H9Cl2F6N3O3S
M.W.:
544.26
Type:
Unknown
AlogP:
6.51
Polar Surface Area:
72.70
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5287595 Name:
4-cyano-N-(3,4-dimethoxyphenyl)benzamide
Mol. Formula:
C16H14N2O3
M.W.:
282.30
Type:
---
AlogP:
2.83
Polar Surface Area:
71.35
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA5286402 Name:
N-(3,4-dimethoxyphenyl)benzamide
Mol. Formula:
C15H15NO3
M.W.:
257.29
Type:
---
AlogP:
2.96
Polar Surface Area:
47.56
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA5286268 Name:
N-(3,4-dichlorophenyl)-4-(trifluoromethyl)benzamid
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Mol. Formula:
C14H8Cl2F3NO
M.W.:
334.12
Type:
---
AlogP:
5.26
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5285382 Name:
(2Z)-2-[(1-methylindol-3-yl)methylene]benzofuran-3
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Mol. Formula:
C18H13NO2
M.W.:
275.31
Type:
---
AlogP:
3.79
Polar Surface Area:
31.23
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5284299 Name:
4-cyano-N-phenylbenzamide
Mol. Formula:
C14H10N2O
M.W.:
222.25
Type:
---
AlogP:
2.81
Polar Surface Area:
52.89
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA5283247 Name:
4-cyano-N-(3,4-dimethylphenyl)benzamide
Mol. Formula:
C16H14N2O
M.W.:
250.30
Type:
---
AlogP:
3.43
Polar Surface Area:
52.89
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA5281760 Name:
N-(3,4-difluorophenyl)-4-fluorobenzamide
Mol. Formula:
C13H8F3NO
M.W.:
251.21
Type:
---
AlogP:
3.36
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5281442 Name:
N-(3,4-dimethylphenyl)-4-(trifluoromethyl)benzamid
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Mol. Formula:
C16H14F3NO
M.W.:
293.29
Type:
---
AlogP:
4.57
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
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