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ALA4520242 Name:
Guignardone S
Mol. Formula:
C17H24O4
M.W.:
292.37
Type:
Unknown
AlogP:
2.51
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4529383 Name:
N-(3-(3-(3-chloro-5-methoxyphenyl)-4-(pyridin-4-yl
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Mol. Formula:
C33H27ClF3N5O3
M.W.:
634.06
Type:
Unknown
AlogP:
7.37
Polar Surface Area:
81.51
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4740510 Name:
sodium (E/Z)-2-(4-(4,8-dimethylnona-3,7-dienyl)-1H
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Mol. Formula:
C15H23N3Na4O7P2
M.W.:
511.27
Type:
Unknown
AlogP:
1.90
Polar Surface Area:
166.00
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4580462 Name:
Guignardone Q
Mol. Formula:
C17H22O4
M.W.:
290.36
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4582669 Name:
(E)-N-(4-amino-2-(methylthio)-6-oxo-1,6-dihydropyr
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Mol. Formula:
C21H19ClN4O5S2
M.W.:
506.99
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
144.24
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4783328 Name:
3,3'-azadimethylenedinaphthospiropyran
Mol. Formula:
C27H19NO2
M.W.:
389.45
Type:
Unknown
AlogP:
5.54
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4792731 Name:
N-(4-(6,7-dimethoxy-2-methylquinolin-3-yloxy)pheny
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Mol. Formula:
C27H20F6N2O4
M.W.:
550.46
Type:
Unknown
AlogP:
7.64
Polar Surface Area:
69.68
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4861295 Name:
2-(2,4-dimethoxyphenyl)-3,7-dihydroxy-8-((pyridin-
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Mol. Formula:
C24H22N2O6
M.W.:
434.45
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
114.05
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4860014 Name:
2-(2,4-dimethoxyphenyl)-3,7-dihydroxy-8-(morpholin
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Mol. Formula:
C22H23NO7
M.W.:
413.43
Type:
Unknown
AlogP:
2.72
Polar Surface Area:
101.60
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4859862 Name:
4-O-acetyl-4-epi-withanolide D
Mol. Formula:
C30H40O7
M.W.:
512.64
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
102.43
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4859240 Name:
9-(3,4-dichlorobenzylamino)-2-(2,4-dimethoxyphenyl
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Mol. Formula:
C26H22Cl2N2O6
M.W.:
529.38
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
93.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4857894 Name:
2-(2,3-dichlorophenyl)-3-hydroxy-9-(1-methylpiperi
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Mol. Formula:
C23H22Cl2N2O4
M.W.:
461.35
Type:
Unknown
AlogP:
4.72
Polar Surface Area:
66.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4857813 Name:
27-O-acetyl-4-epi-withaferin A
Mol. Formula:
C31H42O7
M.W.:
526.67
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
102.43
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4856517 Name:
2-(3,4-dichlorophenyl)-3-hydroxy-9-(pyridin-4-ylme
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Mol. Formula:
C23H16Cl2N2O4
M.W.:
455.30
Type:
Unknown
AlogP:
5.22
Polar Surface Area:
75.80
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4879369 Name:
2-(2,3-dichlorophenyl)-8-((diethylamino)methyl)-3,
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Mol. Formula:
C20H19Cl2NO4
M.W.:
408.28
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4879180 Name:
2-(2,4-dimethoxyphenyl)-3-hydroxy-9-(1-methylpiper
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Mol. Formula:
C25H28N2O6
M.W.:
452.51
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
84.61
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4878528 Name:
2-(3,4-dichlorophenyl)-3-hydroxy-9-((tetrahydro-2H
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Mol. Formula:
C23H21Cl2NO5
M.W.:
462.33
Type:
Unknown
AlogP:
5.05
Polar Surface Area:
72.14
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4877755 Name:
2-(2,3-dichlorophenyl)-3,7-dihydroxy-8-(morpholino
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Mol. Formula:
C20H17Cl2NO5
M.W.:
422.26
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
83.14
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4874187 Name:
2-(2,3-dichlorophenyl)-3,7-dihydroxy-8-(pyrrolidin
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Mol. Formula:
C20H17Cl2NO4
M.W.:
406.27
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4849546 Name:
4-epi-withanolide D
Mol. Formula:
C28H38O6
M.W.:
470.61
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
96.36
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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