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ALA4577576 Name:
NA
Mol. Formula:
C40H32N8O10
M.W.:
784.74
Type:
Unknown
AlogP:
6.67
Polar Surface Area:
254.84
HBA:
16
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4463514 Name:
7-amino-4-(6-bromo-7-hydroxybenzo[d]thiazol-2-yl)-
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Mol. Formula:
C16H9BrN2O3S
M.W.:
389.23
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
89.35
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4291868 Name:
Ethyl[6-(propylsulfanyl)-1,3-benzothiazol-2-yl]car
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Mol. Formula:
C13H16N2O2S2
M.W.:
296.42
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
51.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4280192 Name:
N-(4-(1-(Hydroxyimino)ethylphenyl)-2-(5-amino-3-(t
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Mol. Formula:
C13H13F3N6O2
M.W.:
342.28
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
118.42
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3621368 Name:
1-Ethoxycarbonyl-4-benzyl-1,2,4-triazolo[4,3-a]qui
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Cas Number:
261729-53-7
Mol. Formula:
C19H16N4O2
M.W.:
332.36
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
69.38
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3621367 Name:
2-(4-Benzyl-1,2,4-triazolo[4,3-a]quinoxalin-1-yl)b
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Mol. Formula:
C23H16N4O2
M.W.:
380.41
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
80.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3359968 Name:
1-Cyano-3-(4-methoxybenzoyl)-6,8-dimethylindolizin
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Mol. Formula:
C19H16N2O2
M.W.:
304.35
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
54.50
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3310036 Name:
(E)-7-chloro-3-(4-chlorobenzylideneamino)-2-phenyl
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Mol. Formula:
C21H13Cl2N3O
M.W.:
394.26
Type:
Small molecule
AlogP:
5.25
Polar Surface Area:
47.25
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3116068 Name:
N4-(3-Allyl-2-methyl-3H-benzimidazol-5-yl)-N2-(3-a
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Mol. Formula:
C30H28N8
M.W.:
500.61
Type:
Small molecule
AlogP:
6.81
Polar Surface Area:
85.48
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2415046 Name:
6-(2-Furyl)-4-morpholinyl-2-thioxo-1,2-dihydropyri
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Mol. Formula:
C13H12N4O2S
M.W.:
288.33
Type:
Small molecule
AlogP:
2.11
Polar Surface Area:
78.08
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2415044 Name:
4-Morpholinyl-6-phenyl-2-thioxo-1,2-dihydropyrimid
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Mol. Formula:
C15H14N4OS
M.W.:
298.37
Type:
Small molecule
AlogP:
2.51
Polar Surface Area:
64.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA2415032 Name:
2-(2-Hydroxy-3-morpholinopropylthio)-6-phenyl-4-mo
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Mol. Formula:
C22H27N5O3S
M.W.:
441.56
Type:
Small molecule
AlogP:
1.64
Polar Surface Area:
94.74
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2415030 Name:
2-[(Oxiran-2-yl)methylthio]-6-phenyl-4-morpholinop
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Mol. Formula:
C18H18N4O2S
M.W.:
354.44
Type:
Small molecule
AlogP:
2.34
Polar Surface Area:
74.57
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2375398 Name:
2-(4-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta [4,5
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Mol. Formula:
C17H17N3OS
M.W.:
311.41
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2297523 Name:
7-Chloro-4-imino-2-methylsulfanyl-4H-9-thia-1,4a-d
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Mol. Formula:
C12H7ClN4S2
M.W.:
306.80
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
64.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2172759 Name:
{3-[5-(2-Hydroxyphenyl)-3-phenylpyrazol-1-yl]-2-ox
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Mol. Formula:
C25H19N3O4
M.W.:
425.44
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
95.66
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2064120 Name:
1-[2-Benzylthio-4-chloro-5-(3-phenyl-1,2,4-oxadiaz
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Mol. Formula:
C22H18ClN5O4S2
M.W.:
516.00
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
141.20
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA2064115 Name:
1-[4-Chloro-2-(3,4,5-trimethoxybenzylthio)-5-(5-ph
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Mol. Formula:
C25H24ClN5O6S3
M.W.:
622.15
Type:
Small molecule
AlogP:
5.04
Polar Surface Area:
155.75
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1241995 Name:
7-[(5-Mercapto-1,3,4-oxadiazol-2-yl)methoxy]-8-met
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Mol. Formula:
C19H14N2O4S
M.W.:
366.40
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
78.36
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA521077 Name:
9-Methylthio-6-(4-fluorophenyl)-6,7,10,12-tetrahyd
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Mol. Formula:
C21H15FN4O2S
M.W.:
406.44
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
86.88
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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