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ALA5287592 Name:
Cis-2-((1s,3s)-3-chlorocyclobutane-1-carboxamido)-
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Mol. Formula:
C22H18Cl2N4O2
M.W.:
441.32
Type:
---
AlogP:
5.01
Polar Surface Area:
83.98
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5287551 Name:
6-methoxy-N-(pyridin-4-yl)benzo[d]thiazole-2-carbo
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Mol. Formula:
C14H11N3O2S
M.W.:
285.33
Type:
---
AlogP:
2.95
Polar Surface Area:
64.11
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5287294 Name:
2-(cyclobutanecarboxamido)-N-(5-phenylpyridin-3-yl
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Mol. Formula:
C22H20N4O2
M.W.:
372.43
Type:
---
AlogP:
4.13
Polar Surface Area:
83.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5285051 Name:
6-methoxy-2-(1-(4-nitrobenzyl)-1H-1,2,3-triazol-4-
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Mol. Formula:
C17H13N5O3S
M.W.:
367.39
Type:
---
AlogP:
3.52
Polar Surface Area:
95.97
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5283139 Name:
6-methoxy-2-(1-(4-nitrophenethyl)-1H-1,2,3-triazol
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Mol. Formula:
C18H15N5O3S
M.W.:
381.42
Type:
---
AlogP:
3.71
Polar Surface Area:
95.97
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5278438 Name:
8-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-tria
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Mol. Formula:
C18H24N4O2S
M.W.:
360.48
Type:
---
AlogP:
3.90
Polar Surface Area:
73.06
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5290786 Name:
N-(3-(8-methoxy-4,5-dihydro-3H-pyrimido[5,4-b]indo
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Mol. Formula:
C21H30N4O
M.W.:
354.50
Type:
---
AlogP:
4.31
Polar Surface Area:
43.86
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5290735 Name:
4-cyanobenzyl 6-methoxybenzo[d]thiazole-2-carboxyl
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Mol. Formula:
C17H12N2O3S
M.W.:
324.36
Type:
---
AlogP:
3.53
Polar Surface Area:
72.21
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5290220 Name:
N-(4-(hydroxymethyl)phenyl)-6-methoxybenzo[d]thiaz
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Mol. Formula:
C16H14N2O3S
M.W.:
314.37
Type:
---
AlogP:
3.05
Polar Surface Area:
71.45
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5287804 Name:
N-(3-cyanophenyl)-6-methoxybenzo[d]thiazole-2-carb
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Mol. Formula:
C16H11N3O2S
M.W.:
309.35
Type:
---
AlogP:
3.43
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.46
Polar Surface Area:
83.58
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1604949 Name:
SID24409124
Mol. Formula:
C23H18FN3O3
M.W.:
403.41
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
72.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1604944 Name:
SID24275190
Mol. Formula:
C23H22F3N3O4S
M.W.:
493.51
Type:
Small molecule
AlogP:
5.31
Polar Surface Area:
82.57
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1604938 Name:
SID24268438
Mol. Formula:
C29H29ClN4O5
M.W.:
549.03
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
96.87
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1604937 Name:
SID24409389
Mol. Formula:
C19H17ClN2O2
M.W.:
340.81
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
51.22
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1604936 Name:
SID50110686
Mol. Formula:
C20H27NO5
M.W.:
361.44
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
81.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1604918 Name:
SID24387853
Mol. Formula:
C27H27N3O5S
M.W.:
505.60
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
124.52
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1604915 Name:
SID24812914
Mol. Formula:
C17H23N5O3S
M.W.:
377.47
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
88.61
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA1604878 Name:
SID4257237
Cas Number:
333985-78-7
Mol. Formula:
C11H20N2O3
M.W.:
228.29
Type:
Small molecule
AlogP:
0.94
Polar Surface Area:
49.85
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA1604877 Name:
SID26754043
Mol. Formula:
C23H27NO6
M.W.:
413.47
Type:
Small molecule
AlogP:
0.69
Polar Surface Area:
110.46
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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