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ALA3728227 Name:
2,4-dihydroxy-N-(4-(methyl(quinoxalin-6-ylmethyl)c
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Mol. Formula:
C29H24N4O4S
M.W.:
524.60
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
106.86
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3718685 Name:
1-(2,4-dihydroxybenzoyl)-N,N-diethyl-2-methyl-1,2,
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Mol. Formula:
C21H26N2O5S
M.W.:
418.52
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
98.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3717058 Name:
N-[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroquin
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Mol. Formula:
C20H22N2O4
M.W.:
354.41
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3719351 Name:
4-[6-(3-methylpyridin-2-yl)-2-(pyridin-3-yl)-1,2,3
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Mol. Formula:
C27H23N3O3
M.W.:
437.50
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
86.55
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3717054 Name:
4-[2-(thiophen-2-yl)-1,2,3,4-tetrahydroquinoline-1
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Mol. Formula:
C20H17NO3S
M.W.:
351.43
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
60.77
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3716199 Name:
4-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-1-ca
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Mol. Formula:
C20H17NO4
M.W.:
335.36
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
73.91
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3718673 Name:
4-[2-(pyridin-2-yl)-1,2,3,4-tetrahydroquinoline-1-
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Mol. Formula:
C21H18N2O3
M.W.:
346.39
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
73.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3717293 Name:
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrah
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Mol. Formula:
C21H21N3O3
M.W.:
363.42
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
89.45
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3718886 Name:
4-[2-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
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Mol. Formula:
C19H17N3O3
M.W.:
335.36
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
89.45
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3716343 Name:
4-[2-(pyridin-3-yl)-1,2,3,4-tetrahydroquinoline-1-
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Mol. Formula:
C21H18N2O3
M.W.:
346.39
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
73.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3719338 Name:
N-{[1-(2,4-dihydroxybenzoyl)-6-(3-methylpyridin-2-
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Mol. Formula:
C24H25N3O5S
M.W.:
467.55
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
119.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3717631 Name:
N-{[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroqui
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Mol. Formula:
C18H20N2O5S
M.W.:
376.43
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
106.94
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3718579 Name:
(2,4-dihydroxyphenyl)(2-(trifluoromethyl)-3,4-dihy
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Mol. Formula:
C17H14F3NO3
M.W.:
337.30
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
60.77
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3716039 Name:
N-{[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroqui
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Mol. Formula:
C19H17F3N2O4
M.W.:
394.35
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
89.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3715044 Name:
4-[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-meth
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Mol. Formula:
C23H21ClN2O3
M.W.:
408.89
Type:
Small molecule
AlogP:
5.07
Polar Surface Area:
83.31
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3719333 Name:
4-[2-methyl-6-(3-methylpyridin-2-yl)-1,2,3,4-tetra
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Mol. Formula:
C24H23NO3
M.W.:
373.45
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
70.42
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA3718275 Name:
(2S)-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-(pyri
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Mol. Formula:
C25H25N3O4
M.W.:
431.49
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
93.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3718953 Name:
4-[6-(2,3-dihydro-1H-isoindole-2-carbonyl)-1,2,3,4
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Mol. Formula:
C25H22N2O4
M.W.:
414.46
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
81.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3718317 Name:
1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-(2,2,2-tri
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Mol. Formula:
C21H21F3N2O4
M.W.:
422.40
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
81.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3715758 Name:
4-chloro-6-{[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H
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Mol. Formula:
C17H15ClFNO3
M.W.:
335.76
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
60.77
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
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