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ALA4782276 Name:
(E)-6-(bis(3,7-dimethyloctyl)amino)-2-(4-hydroxy-3
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Mol. Formula:
C37H55NO3
M.W.:
561.85
Type:
Unknown
AlogP:
9.73
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4756815 Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-methoxy-2
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Mol. Formula:
C18H16O4
M.W.:
296.32
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4776624 Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-(pyrrolid
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Mol. Formula:
C21H21NO3
M.W.:
335.40
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4765140 Name:
(E)-2-(2,4-Dimethoxybenzylidene)-6-hydroxy-2,3-dih
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Mol. Formula:
C18H16O4
M.W.:
296.32
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5208407 Name:
(+)-Ganodilactone
Mol. Formula:
C42H50O8
M.W.:
682.85
Type:
---
AlogP:
9.61
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
Type:
---
AlogP:
6.43
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5173192 Name:
(+/-)-Ganodilactone
Mol. Formula:
C42H50O8
M.W.:
682.85
Type:
---
AlogP:
9.61
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4752404 Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-propoxy-2
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Mol. Formula:
C20H20O4
M.W.:
324.38
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4751728 Name:
(E)-6-amino-2-(4-hydroxy-3-methoxybenzylidene)-2,3
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Mol. Formula:
C17H15NO3
M.W.:
281.31
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
72.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4797179 Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-6-((12-hydr
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Mol. Formula:
C29H39NO4
M.W.:
465.63
Type:
Unknown
AlogP:
6.53
Polar Surface Area:
78.79
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4785507 Name:
(E)-2-(2-Chlorobenzylidene)-6-hydroxy-2,3-dihydro-
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Mol. Formula:
C16H11ClO2
M.W.:
270.72
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4761197 Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydro
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Mol. Formula:
C17H14O3
M.W.:
266.30
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4780689 Name:
(E)-6-Hydroxy-2-(2,4,6-trimethoxybenzylidene)-2,3-
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Mol. Formula:
C19H18O5
M.W.:
326.35
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4779689 Name:
(E)-2-(3,4-Dichlorobenzylidene)-6-hydroxy-2,3-dihy
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Mol. Formula:
C16H10Cl2O2
M.W.:
305.16
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4778007 Name:
(E)-6-Hydroxy-2-(3,4,5-trimethoxybenzylidene)-2,3-
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Mol. Formula:
C19H18O5
M.W.:
326.35
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4757866 Name:
(E)-6-(di(hex-5-en-1-yl)amino)-2-(4-hydroxy-3-meth
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Mol. Formula:
C29H35NO3
M.W.:
445.60
Type:
Unknown
AlogP:
6.74
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4092201 Name:
(Z)-3-(4-Nitrobenzyl)-5-((4-(4-methylphenyl)-1-phe
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Mol. Formula:
C27H20N4O4S
M.W.:
496.55
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
98.34
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4788400 Name:
(E)-6-(di(dec-9-en-1-yl)amino)-2-(4-hydroxy-3-meth
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Mol. Formula:
C37H51NO3
M.W.:
557.82
Type:
Unknown
AlogP:
9.86
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4089365 Name:
(Z)-3-((10-(((4-((E)-3,5-dimethoxystyryl)phenoxy)c
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Mol. Formula:
C66H105NO10
M.W.:
1072.56
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4750178 Name:
(E)-6-(hex-5-en-1-ylamino)-2-(4-hydroxy-3-methoxyb
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Mol. Formula:
C23H25NO3
M.W.:
363.46
Type:
Unknown
AlogP:
4.99
Polar Surface Area:
58.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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