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ALA5279564 Name:
N-(5-((4-((2,6-difluorophenyl)amino)-5-fluoropyrim
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Mol. Formula:
C20H18F4N6O
M.W.:
434.40
Type:
---
AlogP:
4.02
Polar Surface Area:
82.18
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1087791 Name:
Rescovitine
Mol. Formula:
C19H28N6O
M.W.:
356.47
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
85.34
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA1077086 Name:
2-(5-Benzylidene-4-oxo-2-thioxothiazolidin-3-ylami
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Mol. Formula:
C28H22N6O6S2
M.W.:
602.65
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
169.43
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA1077085 Name:
6-(2,4-Dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)
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Mol. Formula:
C26H20N6O6S3
M.W.:
608.68
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
169.43
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA1077107 Name:
4-(2,4-Dihydroxyphenyl)-2-(5-(furan-2-ylmethylene)
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Mol. Formula:
C26H20N6O7S2
M.W.:
592.62
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
182.57
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA1087566 Name:
6-(2,4-Dihydroxyphenyl)-4-methyl-2-(3-methyl-5-oxo
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Mol. Formula:
C27H22N6O6S
M.W.:
558.58
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
169.76
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1087440 Name:
6-(2,4-Dihydroxyphenyl)-2-(4-(furan-2-ylmethylene)
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Mol. Formula:
C27H22N6O7
M.W.:
542.51
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
182.90
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1098059 Name:
ethyl 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyra
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Mol. Formula:
C19H19N5O2
M.W.:
349.39
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
81.93
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1098058 Name:
8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-di
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Mol. Formula:
C23H27N7O
M.W.:
417.52
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
101.96
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1098057 Name:
1-(1-Methylpiperidin-4-yl)-8-(phenylamino)-4,5-dih
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Mol. Formula:
C22H25N7O
M.W.:
403.49
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
101.96
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1094735 Name:
8-(Phenylamino)-1-(propan-2-yl)-4,5-dihydro-1H-pyr
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Mol. Formula:
C19H20N6O
M.W.:
348.41
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1094402 Name:
1-Cyclohexyl-8-(phenylamino)-4,5-dihydro-1H-pyrazo
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Mol. Formula:
C22H24N6O
M.W.:
388.48
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1094401 Name:
8-(Phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quin
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Mol. Formula:
C16H14N6O
M.W.:
306.33
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
109.58
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1094400 Name:
1-Phenyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4
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Mol. Formula:
C22H18N6O
M.W.:
382.43
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1095709 Name:
8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd
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Mol. Formula:
C18H15F3N6O
M.W.:
388.35
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA1097374 Name:
8-{[2-Acetyl-3-(4-methylpiperazin-1-yl)phenyl]amin
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Mol. Formula:
C24H28N8O2
M.W.:
460.54
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
122.27
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1097022 Name:
8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p
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Mol. Formula:
C17H17N7O
M.W.:
335.37
Type:
Small molecule
AlogP:
1.40
Polar Surface Area:
124.74
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1094820 Name:
1-Methyl-8-{[2-(phenylamino)phenyl]amino}-4,5-dihy
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Mol. Formula:
C23H21N7O
M.W.:
411.47
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
110.75
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1094488 Name:
8-[(2-Benzylphenyl)amino]-1-methyl-4,5-dihydro-1H-
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Mol. Formula:
C24H22N6O
M.W.:
410.48
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1094817 Name:
8-(Biphenyl-2-ylamino)-1-methyl-4,5-dihydro-1H-pyr
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Mol. Formula:
C23H20N6O
M.W.:
396.45
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
98.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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