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Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
15.60
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4541455 Name:
methyl 2-[[5-cyano-2-(2-hydroxyphenyl)-4-oxo-2,3-d
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Mol. Formula:
C14H12N2O4S2
M.W.:
336.39
Type:
Unknown
AlogP:
1.90
Polar Surface Area:
99.42
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5193395 Name:
Ethyl 3-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorop
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Mol. Formula:
C28H24ClN5O4
M.W.:
529.98
Type:
---
AlogP:
5.68
Polar Surface Area:
117.85
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5094523 Name:
2-(4-(3-chloro-[1,1'-biphenyl]-4-yl)-2-((6-fluorob
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Mol. Formula:
C31H22ClFN6O4
M.W.:
597.01
Type:
Unknown
AlogP:
6.41
Polar Surface Area:
141.74
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5090957 Name:
2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
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Mol. Formula:
C23H17ClN6O4S
M.W.:
508.95
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
141.74
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
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ALA5090755 Name:
[N-[2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-met
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Mol. Formula:
C25H22ClN9O2S
M.W.:
548.03
Type:
Unknown
AlogP:
4.41
Polar Surface Area:
157.07
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5089592 Name:
N-(1,3-benzoxazol-2-yl)-7-(1,3-benzoxazol-2-ylamin
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Mol. Formula:
C24H22N6O3
M.W.:
442.48
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
117.58
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5085554 Name:
2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
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Mol. Formula:
C26H20ClN5O4
M.W.:
501.93
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
128.85
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5084931 Name:
N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamin
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Mol. Formula:
C24H19ClN8O3
M.W.:
502.92
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
135.40
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5084217 Name:
methyl-2-(5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chl
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Mol. Formula:
C24H20ClN7O4S
M.W.:
537.99
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
143.63
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5082955 Name:
ethyl-3-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorop
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Mol. Formula:
C28H24ClN5O4
M.W.:
529.98
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
117.85
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5082888 Name:
2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-
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Mol. Formula:
C27H24ClN5O3
M.W.:
501.97
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
111.78
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5081596 Name:
methyl-5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chloro
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Mol. Formula:
C26H21ClN6O4
M.W.:
516.95
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
130.74
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5080851 Name:
2-(1,3-benzoxazol-2-ylamino)-N,4-bis(2-bromophenyl
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Mol. Formula:
C25H19Br2N5O2
M.W.:
581.27
Type:
Unknown
AlogP:
6.38
Polar Surface Area:
91.55
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5076940 Name:
N-(4-(1H-tetrazol-5-yl)phenyl)-2-(benzo[d]oxazol-2
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Mol. Formula:
C27H21ClN8O2
M.W.:
524.97
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
133.12
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5076512 Name:
5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
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Mol. Formula:
C25H19ClN6O4
M.W.:
502.92
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
141.74
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5076126 Name:
2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-
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Mol. Formula:
C26H22ClN5O3
M.W.:
487.95
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
111.78
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4556350 Name:
2-phenyl-5-[3-phenylprop-2-enylidene]-1,3-dioxane-
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Mol. Formula:
C19H14O4
M.W.:
306.32
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4554037 Name:
[2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-yliden
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Mol. Formula:
C19H15NO4S2
M.W.:
385.47
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
64.63
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4537077 Name:
3-[4-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl
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Mol. Formula:
C23H17ClN2O4
M.W.:
420.85
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
83.11
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
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