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ALA5271538 Name:
N1,N5-bis(2-hydroxyethyl)-N3,N3-bis(3-hydroxypropy
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Mol. Formula:
C19H29N3O7
M.W.:
411.46
Type:
---
AlogP:
-1.66
Polar Surface Area:
159.43
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5191797 Name:
N-methyl-4-(6-oxo-1-(2-(3-(1-(tetrahydro-2H-pyran-
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Mol. Formula:
C32H29F3N6O3
M.W.:
602.62
Type:
---
AlogP:
5.29
Polar Surface Area:
103.93
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
Type:
---
AlogP:
5.11
Polar Surface Area:
94.70
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4558719 Name:
1-(5-((7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-
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Mol. Formula:
C20H17ClN6O2S2
M.W.:
472.98
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4558108 Name:
ethyl 2-(3-(5-((8-methyl-4-oxo-4H-pyrido[1,2-a]pyr
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Mol. Formula:
C22H20N6O4S2
M.W.:
496.57
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
127.58
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4557960 Name:
1-(4-(2-(1-methyl-1H-benzo[d]imidazol-2-yl)ethyl)p
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Mol. Formula:
C24H21F3N4O
M.W.:
438.45
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
58.95
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4536799 Name:
1-(5-((3-oxo-3,4-dihydroquinoxalin-2-yl)methylthio
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Mol. Formula:
C18H14N6O2S2
M.W.:
410.48
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4532509 Name:
1-(2-chloro-4-methylphenyl)-3-(5-((7-methyl-4-oxo-
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Mol. Formula:
C20H17ClN6O2S2
M.W.:
472.98
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4531238 Name:
1-(3,4-dimethoxyphenyl)-3-(5-((9-methyl-4-oxo-4H-p
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Mol. Formula:
C21H20N6O4S2
M.W.:
484.56
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
119.74
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4520451 Name:
1-(3-bromophenyl)-3-(4-(2-(1-methyl-1H-benzo[d]imi
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Mol. Formula:
C23H21BrN4O
M.W.:
449.35
Type:
Unknown
AlogP:
5.77
Polar Surface Area:
58.95
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4520177 Name:
1-(2-chlorophenyl)-3-(4-(2-(1-methyl-1H-benzo[d]im
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Mol. Formula:
C23H21ClN4O
M.W.:
404.90
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
58.95
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4518353 Name:
1-(3-chlorophenyl)-3-(5-((9-methyl-4-oxo-4H-pyrido
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Mol. Formula:
C19H15ClN6O2S2
M.W.:
458.96
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4590914 Name:
1-(5-chloro-2-methoxyphenyl)-3-(4-(2-(1-ethyl-1H-b
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Mol. Formula:
C25H25ClN4O2
M.W.:
448.95
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
68.18
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4589669 Name:
1-(3-(4-amino-7-isopropylpyrrolo[1,2-f][1,2,4]tria
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Mol. Formula:
C27H24N6O2
M.W.:
464.53
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
114.41
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4580964 Name:
1-(5-((9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-
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Mol. Formula:
C19H16N6O2S2
M.W.:
424.51
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4579460 Name:
1-(3-acetylphenyl)-3-(4-(2-(1-ethyl-1H-benzo[d]imi
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Mol. Formula:
C26H26N4O2
M.W.:
426.52
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
76.02
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4578725 Name:
1-(3-chloro-4-fluorophenyl)-3-(5-((3-oxo-3,4-dihyd
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Mol. Formula:
C18H12ClFN6O2S2
M.W.:
462.92
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
112.66
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4577826 Name:
1-(4-(2-(1-methyl-1H-benzo[d]imidazol-2-yl)ethyl)p
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Mol. Formula:
C24H24N4OS
M.W.:
416.55
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
58.95
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4574513 Name:
1-(4-fluorophenyl)-3-(5-((9-methyl-4-oxo-4H-pyrido
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Mol. Formula:
C19H15FN6O2S2
M.W.:
442.50
Type:
Unknown
AlogP:
3.93
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4564272 Name:
1-(5-((9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-
Show More⌵
Mol. Formula:
C20H18N6O2S2
M.W.:
438.54
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
101.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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