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ALA4531944 Name:
7-(4-(5-chloro-2-(2,4-dichlorophenoxy)phenoxy)buto
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Mol. Formula:
C25H19Cl3O5
M.W.:
505.78
Type:
Unknown
AlogP:
7.78
Polar Surface Area:
57.90
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4560195 Name:
7-(4-(5-chloro-2-(2,4-dichlorophenoxy)phenoxy)buto
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Mol. Formula:
C26H21Cl3O5
M.W.:
519.81
Type:
Unknown
AlogP:
8.09
Polar Surface Area:
57.90
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4568780 Name:
2-(2-phenylthiochroman-4-ylidene)hydrazinecarboxam
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Mol. Formula:
C16H15N3OS
M.W.:
297.38
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
67.48
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4581673 Name:
N'-(2-phenylthiochroman-4-ylidene)isonicotinohydra
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Mol. Formula:
C21H17N3OS
M.W.:
359.45
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
54.35
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5278236 Name:
7-((5-(5-chloro-2-(2,4-dichlorophenoxy)phenoxy)pen
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Mol. Formula:
C27H23Cl3O5
M.W.:
533.84
Type:
---
AlogP:
8.48
Polar Surface Area:
57.90
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5286322 Name:
7-(3-(5-chloro-2-(2,4-dichlorophenoxy)phenoxy)prop
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Mol. Formula:
C25H19Cl3O5
M.W.:
505.78
Type:
---
AlogP:
7.70
Polar Surface Area:
57.90
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5208034 Name:
7-((9-(quinolin-8-yloxy)nonyl)oxy)-4H-chromen-4-on
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Mol. Formula:
C27H29NO4
M.W.:
431.53
Type:
---
AlogP:
6.53
Polar Surface Area:
61.56
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5205237 Name:
3-(3-(4-(3-(furan-2-yl)acryloyl)phenoxy)propyl)-1-
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Mol. Formula:
C20H21BrN2O3
M.W.:
417.30
Type:
---
AlogP:
3.27
Polar Surface Area:
48.25
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5199525 Name:
2-(4-fluorophenyl)-4H-thiochromen-4-one 1,1-dioxid
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Mol. Formula:
C15H9FO3S
M.W.:
288.30
Type:
---
AlogP:
2.84
Polar Surface Area:
51.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA5193371 Name:
3-(8-(4-(3-(furan-2-yl)acryloyl)phenoxy)octyl)-1-m
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Mol. Formula:
C25H31BrN2O3
M.W.:
487.44
Type:
---
AlogP:
5.22
Polar Surface Area:
48.25
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5192109 Name:
3-(8-(4-(3-(furan-2-yl)acryloyl)phenoxy)dodecyl)-1
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Mol. Formula:
C29H39BrN2O3
M.W.:
543.55
Type:
---
AlogP:
6.78
Polar Surface Area:
48.25
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5191821 Name:
3-(8-(4-(3-(furan-2-yl)acryloyl)phenoxy)nonyl)-1-m
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Mol. Formula:
C26H33BrN2O3
M.W.:
501.47
Type:
---
AlogP:
5.61
Polar Surface Area:
48.25
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5190983 Name:
3-(furan-2-yl)-1-(4-((5-(quinolin-8-yloxy)pentyl)o
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Mol. Formula:
C27H25NO4
M.W.:
427.50
Type:
---
AlogP:
6.35
Polar Surface Area:
61.56
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5178111 Name:
7-(4-(naphthalen-1-yloxy)butoxy)-4H-chromen-4-one
Mol. Formula:
C23H20O4
M.W.:
360.41
Type:
---
AlogP:
5.18
Polar Surface Area:
48.67
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5177826 Name:
6-fluoro-2-(4-(trifluoromethyl)phenyl)-4H-thiochro
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Mol. Formula:
C16H8F4O3S
M.W.:
356.30
Type:
---
AlogP:
3.86
Polar Surface Area:
51.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5175303 Name:
N'-(chroman-4-ylidene)benzohydrazide
Mol. Formula:
C16H14N2O2
M.W.:
266.30
Type:
---
AlogP:
2.60
Polar Surface Area:
50.69
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA4243950 Name:
(E)-3-(3,4-dimethoxyphenyl)-1-(4-(4-(quinolin-8-yl
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Mol. Formula:
C30H29NO5
M.W.:
483.56
Type:
Small molecule
AlogP:
6.39
Polar Surface Area:
66.88
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4176418 Name:
(E)-1-(4-(3-(5-chloro-2-(2,4-dichlorophenoxy)pheno
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Mol. Formula:
C32H27Cl3O6
M.W.:
613.92
Type:
Small molecule
AlogP:
9.20
Polar Surface Area:
63.22
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4168168 Name:
4-(5-Chloro-2-(2,4-dichlorophenoxy)phenoxy)butyl(E
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Mol. Formula:
C34H31Cl3O6
M.W.:
641.97
Type:
Small molecule
AlogP:
9.98
Polar Surface Area:
63.22
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4165806 Name:
3-(5-Chloro-2-(2,4-dichlorophenoxy)phenoxy)propyl(
Show More⌵
Mol. Formula:
C33H29Cl3O6
M.W.:
627.95
Type:
Small molecule
AlogP:
9.59
Polar Surface Area:
63.22
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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