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ALA4513830 Name:
2-(4-(3-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(th
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Mol. Formula:
C13H10ClN5OS
M.W.:
319.78
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
72.70
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4474975 Name:
N-(4-Methylthiazol-2-yl)-2-(4-(thiophen-2-yl)-1H-1
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Mol. Formula:
C12H11N5OS2
M.W.:
305.39
Type:
Unknown
AlogP:
2.41
Polar Surface Area:
72.70
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4474965 Name:
(1R,2S,4R,5S)-1,4-dihydroxy-4-methyl-6-methylene-2
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Mol. Formula:
C15H22O3
M.W.:
250.34
Type:
Unknown
AlogP:
1.99
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.70
DETAILS
CLOSE
ALA4537009 Name:
N-(5-acetyl-4-methylthiazol-2-yl)-2,6-dimethoxyben
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Mol. Formula:
C15H16N2O4S
M.W.:
320.37
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
77.52
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4522338 Name:
3-(benzo[d][1,3]dioxol-5-yl)-N-(4,5-dimethylthiazo
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Mol. Formula:
C15H14N2O3S
M.W.:
302.36
Type:
Unknown
AlogP:
3.14
Polar Surface Area:
60.45
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4520139 Name:
3,4,5-triethoxy-N-(thiazol-2-yl)benzamide
Mol. Formula:
C16H20N2O4S
M.W.:
336.41
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
69.68
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4535055 Name:
2-(4-(2-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(th
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Mol. Formula:
C13H10ClN5OS
M.W.:
319.78
Type:
Unknown
AlogP:
2.69
Polar Surface Area:
72.70
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4533992 Name:
(3,4-dihydroisoquinolin-2(1H)-yl)(4-(3-methoxyphen
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Mol. Formula:
C27H22F3N3O2
M.W.:
477.49
Type:
Unknown
AlogP:
5.77
Polar Surface Area:
47.36
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4531574 Name:
N-(5-Methylisoxazol-3-yl)-2-(4-(pyridin-4-yl)-1H-1
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Mol. Formula:
C13H12N6O2
M.W.:
284.28
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
98.73
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4561176 Name:
N-((5-methylfuran-2-yl)methyl)-4-p-tolylthiazol-2-
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Mol. Formula:
C16H16N2OS
M.W.:
284.38
Type:
Unknown
AlogP:
4.63
Polar Surface Area:
38.06
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4558729 Name:
2-(4-(4-Ethynylphenyl)-1H-1,2,3-triazol-1-yl)-N-(5
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Mol. Formula:
C16H13N5O2
M.W.:
307.31
Type:
Unknown
AlogP:
1.86
Polar Surface Area:
85.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4556253 Name:
2-(4-(4-Nitrophenyl)-1H-1,2,3-triazol-1-yl)-N-(thi
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Mol. Formula:
C13H10N6O3S
M.W.:
330.33
Type:
Unknown
AlogP:
1.95
Polar Surface Area:
115.84
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4556203 Name:
4-(1-(2-((4-Methylthiazol-2-yl)amino)-2-oxoethyl)-
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Mol. Formula:
C15H13N5O3S
M.W.:
343.37
Type:
Unknown
AlogP:
2.05
Polar Surface Area:
110.00
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4553370 Name:
Chlovalicin
Mol. Formula:
C16H25ClO5
M.W.:
332.82
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
79.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4553005 Name:
2-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-N-(5
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Mol. Formula:
C15H15N5O3
M.W.:
313.32
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
95.07
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4571208 Name:
2-(4-(3-Aminophenyl)-1H-1,2,3-triazol-1-yl)-N-(thi
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Mol. Formula:
C13H12N6OS
M.W.:
300.35
Type:
Unknown
AlogP:
1.62
Polar Surface Area:
98.72
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4568880 Name:
N-(Benzo[d]thiazol-2-yl)-2-(4-(2-chlorophenyl)-1H-
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Mol. Formula:
C17H12ClN5OS
M.W.:
369.84
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
72.70
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4567531 Name:
N-cyclohexyl-4-(3-methoxyphenyl)-1-(4-(trifluorome
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Mol. Formula:
C24H24F3N3O2
M.W.:
443.47
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
56.15
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4529590 Name:
Ethyl 2-(2-(4-(2-Chlorophenyl)-1H-1,2,3-triazol-1-
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Mol. Formula:
C17H16ClN5O3S
M.W.:
405.87
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
99.00
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4529357 Name:
2-(4-(4-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(5-
Show More⌵
Mol. Formula:
C14H12ClN5O2
M.W.:
317.74
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
85.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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