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ALA3350301 Name:
(3E,5E)-6-{3-[1-(1,1-Dimethyl-allyloxy)-1-methyl-e
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Mol. Formula:
C27H36O7
M.W.:
472.58
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA2269072 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C36H36N2O6S2
M.W.:
656.83
Type:
Small molecule
AlogP:
7.23
Polar Surface Area:
99.54
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2268797 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C34H32N2O4S2
M.W.:
596.77
Type:
Small molecule
AlogP:
7.22
Polar Surface Area:
81.08
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2268796 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C38H40N2O6S2
M.W.:
684.88
Type:
Small molecule
AlogP:
7.84
Polar Surface Area:
77.54
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA2268795 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C34H30Cl2N2O2S2
M.W.:
633.67
Type:
Small molecule
AlogP:
9.11
Polar Surface Area:
40.62
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2268794 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C36H36N2O4S2
M.W.:
624.83
Type:
Small molecule
AlogP:
7.82
Polar Surface Area:
59.08
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2268793 Name:
(2S,2'S,5S,5'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,
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Mol. Formula:
C34H32N2O2S2
M.W.:
564.78
Type:
Small molecule
AlogP:
7.81
Polar Surface Area:
40.62
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2268792 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C34H32N2O6S2
M.W.:
628.77
Type:
Small molecule
AlogP:
6.46
Polar Surface Area:
99.54
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2268791 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C32H28N2O4S2
M.W.:
568.72
Type:
Small molecule
AlogP:
6.44
Polar Surface Area:
81.08
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA2268790 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C36H36N2O6S2
M.W.:
656.83
Type:
Small molecule
AlogP:
7.06
Polar Surface Area:
77.54
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA2268789 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C32H26Cl2N2O2S2
M.W.:
605.61
Type:
Small molecule
AlogP:
8.34
Polar Surface Area:
40.62
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA2268788 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C34H32N2O4S2
M.W.:
596.77
Type:
Small molecule
AlogP:
7.05
Polar Surface Area:
59.08
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA2268787 Name:
(2S,2'S)-3,3'-(4,4'-(ethane-1,2-diyl)bis(4,1-pheny
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Mol. Formula:
C32H28N2O2S2
M.W.:
536.72
Type:
Small molecule
AlogP:
7.03
Polar Surface Area:
40.62
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA2268786 Name:
4,4'-(4,4'-(ethane-1,2-diyl)bis(4,1-phenylene))bis
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Mol. Formula:
C30H28N2O4
M.W.:
480.56
Type:
Small molecule
AlogP:
6.40
Polar Surface Area:
83.64
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA2268785 Name:
2,2'-(4,4'-(ethane-1,2-diyl)bis(4,1-phenylene))bis
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Mol. Formula:
C28H24N2O2
M.W.:
420.51
Type:
Small molecule
AlogP:
6.38
Polar Surface Area:
65.18
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2268784 Name:
4,4'-(ethane-1,2-diyl)bis(N-(3,4-dimethoxybenzylid
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Mol. Formula:
C32H32N2O4
M.W.:
508.62
Type:
Small molecule
AlogP:
7.01
Polar Surface Area:
61.64
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2268783 Name:
4,4'-(ethane-1,2-diyl)bis(N-(4-chlorobenzylidene)a
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Mol. Formula:
C28H22Cl2N2
M.W.:
457.40
Type:
Small molecule
AlogP:
8.28
Polar Surface Area:
24.72
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA2268782 Name:
4,4'-(ethane-1,2-diyl)bis(N-(4-methoxybenzylidene)
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Cas Number:
55290-05-6
Mol. Formula:
C30H28N2O2
M.W.:
448.57
Type:
Small molecule
AlogP:
6.99
Polar Surface Area:
43.18
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2268781 Name:
4,4'-(ethane-1,2-diyl)bis(N-benzylideneaniline)
Mol. Formula:
C28H24N2
M.W.:
388.51
Type:
Small molecule
AlogP:
6.97
Polar Surface Area:
24.72
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA2261247 Name:
3,4-Dichloro-N-[(2-chloroquinolin-3-yl)methyl]-Nme
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Mol. Formula:
C17H13Cl3N2
M.W.:
351.66
Type:
Small molecule
AlogP:
5.83
Polar Surface Area:
16.13
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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