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ALA5279261 Name:
Mol. Formula:
C16H9BrN4O
M.W.:
353.18
Type:
---
AlogP:
3.74
Polar Surface Area:
52.31
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5287161 Name:
Mol. Formula:
C22H16BrN3O2
M.W.:
434.29
Type:
---
AlogP:
5.27
Polar Surface Area:
70.26
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5286708 Name:
Mol. Formula:
C19H13BrN4O3
M.W.:
425.24
Type:
---
AlogP:
3.91
Polar Surface Area:
78.61
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5276772 Name:
Mol. Formula:
C18H10BrN5O
M.W.:
392.22
Type:
---
AlogP:
3.80
Polar Surface Area:
76.10
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5274619 Name:
Mol. Formula:
C22H13BrN4O
M.W.:
429.28
Type:
---
AlogP:
5.40
Polar Surface Area:
52.31
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5272519 Name:
Mol. Formula:
C22H15BrN2O3
M.W.:
435.28
Type:
---
AlogP:
4.98
Polar Surface Area:
64.21
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5269553 Name:
Mol. Formula:
C23H18BrN3O2
M.W.:
448.32
Type:
---
AlogP:
5.11
Polar Surface Area:
60.13
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5269345 Name:
Mol. Formula:
C17H11BrN4O
M.W.:
367.21
Type:
---
AlogP:
4.04
Polar Surface Area:
52.31
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1926930 Name:
(E)-1-(4-methyl-2-(propylamino)thiazol-5-yl)-3-phe
Show More⌵
Mol. Formula:
C16H18N2OS
M.W.:
286.40
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1926929 Name:
(E)-1-(2-(ethylamino)-4-methylthiazol-5-yl)-3-(2-m
Show More⌵
Mol. Formula:
C16H18N2O2S
M.W.:
302.40
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
51.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1926928 Name:
(E)-1-(2-(ethylamino)-4-methylthiazol-5-yl)-3-(4-m
Show More⌵
Mol. Formula:
C16H18N2O2S
M.W.:
302.40
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
51.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1926927 Name:
(E)-3-(3-Bromophenyl)-1-(2-(ethylamino)-4-methylth
Show More⌵
Mol. Formula:
C15H15BrN2OS
M.W.:
351.27
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1926926 Name:
(E)-1-(2-(Ethylamino)-4-methylthiazol-5-yl)-3-(3-f
Show More⌵
Mol. Formula:
C15H15FN2OS
M.W.:
290.36
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1926925 Name:
(E)-1-(2-(Ethylamino)-4-methylthiazol-5-yl)-3-(4-f
Show More⌵
Mol. Formula:
C15H15FN2OS
M.W.:
290.36
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1926924 Name:
(E)-3-(2-Chlorophenyl)-1-(2-(ethylamino)-4-methylt
Show More⌵
Mol. Formula:
C15H15ClN2OS
M.W.:
306.82
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1926923 Name:
(E)-3-(3-Chlorophenyl)-1-(2-(ethylamino)-4-methylt
Show More⌵
Mol. Formula:
C15H15ClN2OS
M.W.:
306.82
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1926922 Name:
(E)-3-(4-Chlorophenyl)-1-(2-(ethylamino)-4-methylt
Show More⌵
Mol. Formula:
C15H15ClN2OS
M.W.:
306.82
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1926921 Name:
(E)-1-(2-(Ethylamino)-4-methylthiazol-5-yl)-3-(3-n
Show More⌵
Mol. Formula:
C15H15N3O3S
M.W.:
317.37
Type:
Small molecule
AlogP:
3.69
Polar Surface Area:
85.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1926920 Name:
(E)-1-(2-(Ethylamino)-4-methylthiazol-5-yl)-3-(4-n
Show More⌵
Mol. Formula:
C15H15N3O3S
M.W.:
317.37
Type:
Small molecule
AlogP:
3.69
Polar Surface Area:
85.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1926919 Name:
(E)-1-(2-(Ethylamino)-4-methylthiazol-5-yl)-3-phen
Show More⌵
Mol. Formula:
C15H16N2OS
M.W.:
272.37
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
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