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ALA1089956 Name:
5-Furan-2-yl-7,8,9,10-tetrahydro-6H-12-thia-2,4,11
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Mol. Formula:
C18H16N4OS
M.W.:
336.42
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
77.83
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1094018 Name:
2-(4-chlorophenyl)-10-thia-5,7,12-triazatetracyclo
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Mol. Formula:
C22H21ClN4S
M.W.:
408.96
Type:
Small molecule
AlogP:
6.19
Polar Surface Area:
64.69
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1091783 Name:
2-(1-benzofuran-2-yl)-10-thia-5,7,12-triazatetracy
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Mol. Formula:
C24H22N4OS
M.W.:
414.53
Type:
Small molecule
AlogP:
6.28
Polar Surface Area:
77.83
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1091450 Name:
2-(furan-2-yl)-10-thia-5,7,12-triazatetracyclo[11.
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Mol. Formula:
C20H20N4OS
M.W.:
364.47
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
77.83
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1091449 Name:
10-thia-5,7,12-triazatetracyclo[11.7.0.0^{3,11}.0^
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Mol. Formula:
C16H18N4S
M.W.:
298.42
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
64.69
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1089298 Name:
3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[
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Mol. Formula:
C19H21N3O2S
M.W.:
355.46
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1092769 Name:
3-amino-6-(2,4-dimethoxybenzyl)-4-(furan-2-yl)thie
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Mol. Formula:
C21H19N3O4S
M.W.:
409.47
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
113.60
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1090013 Name:
3-amino-6-(2,4-dimethoxyphenyl)-4-(furan-2-yl)thie
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Mol. Formula:
C20H17N3O4S
M.W.:
395.44
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
113.60
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1093095 Name:
3-amino-4-(furan-2-yl)-5,6,7,8,9,10,11,12-octahydr
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Mol. Formula:
C20H23N3O2S
M.W.:
369.49
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1093963 Name:
3-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclo
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Mol. Formula:
C17H17N3O2S
M.W.:
327.41
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1092819 Name:
rac-3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrah
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Mol. Formula:
C17H17N3O2S
M.W.:
327.41
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1089712 Name:
methyl 5-(3-amino-2-carbamoyl-5,6,7,8,9,10-hexahyd
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Mol. Formula:
C21H23N3O4S
M.W.:
413.50
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
121.44
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1091460 Name:
3-amino-4-(4,5-dimethylfuran-2-yl)-5,6,7,8,9,10-he
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Mol. Formula:
C20H23N3O2S
M.W.:
369.49
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1091459 Name:
3-amino-4-(5-(hydroxymethyl)furan-2-yl)-5,6,7,8,9,
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Mol. Formula:
C19H21N3O3S
M.W.:
371.46
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
115.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1091075 Name:
3-amino-4-(5-ethylfuran-2-yl)-5,6,7,8,9,10-hexahyd
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Mol. Formula:
C20H23N3O2S
M.W.:
369.49
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1091074 Name:
3-amino-4-(benzofuran-2-yl)-5,6,7,8,9,10-hexahydro
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Mol. Formula:
C22H21N3O2S
M.W.:
391.50
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1089019 Name:
3-amino-4-(5-(trifluoromethyl)furan-2-yl)-5,6,7,8,
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Mol. Formula:
C19H18F3N3O2S
M.W.:
409.43
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA1094026 Name:
3-amino-4-(5-chlorofuran-2-yl)-5,6,7,8,9,10-hexahy
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Mol. Formula:
C18H18ClN3O2S
M.W.:
375.88
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
95.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1090391 Name:
3-amino-4-phenethyl-5,6,7,8,9,10-hexahydrocyclooct
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Mol. Formula:
C22H25N3OS
M.W.:
379.53
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
82.00
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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