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ALA5281049 Name:
(1R,2R,3S,4R,5S)-4-(6-((5-chlorothiophen-2-yl)ethynyl)-4-(methylamino)-1H-iShow More⌵
Mol. Formula:
C21H20ClN5O3S
M.W.:
457.94
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Type:
---
AlogP:
1.62
Polar Surface Area:
112.30
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5088750 Name:
Methyl (E)-3-(3-methyl-5-(2-(nicotinamido)-5-(pyridin-4-yl)thiazol-4-yl)pheShow More⌵
Mol. Formula:
C25H20N4O3S
M.W.:
456.53
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
94.07
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5086258 Name:
N-(4-(3-Iodo-5-methylphenyl)-5-(pyridin-4-yl)thiazol-2-yl)nicotinamide
Mol. Formula:
C21H15IN4OS
M.W.:
498.35
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
67.77
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5081520 Name:
N-(4-(3-Bromo-5-methylphenyl)-5-(pyridin-4-yl)thiazol-2-yl)nicotinamide
Mol. Formula:
C21H15BrN4OS
M.W.:
451.35
Type:
Unknown
AlogP:
5.59
Polar Surface Area:
67.77
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4279740 Name:
triethylamine hemi(2-((1E,3E,5E)-5-(3-(6-(2-(2-(4-(3-(5-amino-2-(furan-2-ylShow More⌵
Mol. Formula:
C71H99N13O16S4
M.W.:
1518.92
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2402025 Name:
4-(2-(9-((1S,2R,3S,4R,5S)-3,4-Dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]heShow More⌵
Mol. Formula:
C29H28N6O6S
M.W.:
588.65
Type:
Small molecule
AlogP:
1.16
Polar Surface Area:
179.56
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA2402024 Name:
(1S,2R,3S,4R,5S)-2,3-Dihydroxy-N-methyl-4-(6-(phenethylamino)-2-(phenylethyShow More⌵
Mol. Formula:
C29H28N6O3
M.W.:
508.58
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
125.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2402023 Name:
4-(2-(9-((1S,2R,3S,4R,5R)-3,4-Dihydroxybicyclo[3.1.0]hexan-2-yl)-2-(phenyleShow More⌵
Mol. Formula:
C27H25N5O5S
M.W.:
531.59
Type:
Small molecule
AlogP:
2.04
Polar Surface Area:
150.46
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
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