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ALA5208481 Name:
(E/Z)-2-(2-buten-1-yl)-3-hydroxy-1,4-naphthoquinon
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Mol. Formula:
C14H12O3
M.W.:
228.25
Type:
---
AlogP:
2.84
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
ALA5193158 Name:
Mollisin
Cas Number:
667-92-5
Mol. Formula:
C14H10Cl2O4
M.W.:
313.14
Type:
---
AlogP:
3.01
Polar Surface Area:
71.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5172463 Name:
methyl-3-methoxy-4-(3-(4-(2-methyl-1,3-dioxolan-2-
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Mol. Formula:
C24H26O8
M.W.:
442.46
Type:
---
AlogP:
2.96
Polar Surface Area:
105.20
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4527301 Name:
N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-2-(furan-
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Mol. Formula:
C23H16ClFN4O2
M.W.:
434.86
Type:
Unknown
AlogP:
6.33
Polar Surface Area:
75.97
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4088145 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C21H15ClFN5OS
M.W.:
439.90
Type:
Small molecule
AlogP:
5.92
Polar Surface Area:
79.80
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4086983 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C21H15N5O3S
M.W.:
417.45
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
110.91
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4083528 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C21H17N5OS
M.W.:
387.47
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
79.80
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4080285 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C21H15FN6O3S
M.W.:
450.46
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
122.94
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4067231 Name:
6-methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-amin
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Mol. Formula:
C14H12N4S
M.W.:
268.35
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
64.69
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4066862 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C22H16F3N5OS
M.W.:
455.47
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
79.80
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4086049 Name:
3,4,5-Trimethoxy-N-(6-methyl-3-(phenylthio)pyrido[
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Mol. Formula:
C24H22N4O4S
M.W.:
462.53
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
95.46
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4085696 Name:
N-(6-Methyl-3-phenoxypyrido[2,3-b]pyrazin-7-yl)-N'
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Mol. Formula:
C21H17N5O2
M.W.:
371.40
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
89.03
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4084525 Name:
4-Methyl-N-(6-methylpyrido[2,3-b]pyrazin-7-yl)benz
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Mol. Formula:
C16H14N4O
M.W.:
278.31
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
67.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4064523 Name:
N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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Mol. Formula:
C22H15F3N4OS
M.W.:
440.45
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
67.77
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4457175 Name:
6-N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-8-(fura
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Mol. Formula:
C22H15ClFN5O2
M.W.:
435.85
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
88.86
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4177398 Name:
(S)-methyl 2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-
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Mol. Formula:
C41H65N5O8
M.W.:
756.00
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
146.82
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4175495 Name:
(S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((2S,3S)-3-a
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Mol. Formula:
C39H64N8O8
M.W.:
772.99
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
206.58
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4175157 Name:
(S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((2S,3S)-3-a
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Mol. Formula:
C39H66N6O8
M.W.:
746.99
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
183.84
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4175077 Name:
(S)-methyl 2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((R)-
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Mol. Formula:
C39H65N5O8S
M.W.:
764.04
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
146.82
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4174822 Name:
(S)-methyl 2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-
Show More⌵
Mol. Formula:
C39H65N5O9
M.W.:
747.98
Type:
Small molecule
AlogP:
1.87
Polar Surface Area:
167.05
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
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