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ALA4791006 Name:
6-((2,3-Dimethoxyphenyl)(morpholino)methyl)-2,2-di
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Mol. Formula:
C20H21F2NO6
M.W.:
409.39
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
69.62
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4790355 Name:
7-((4-hydroxy-3,5-dimethoxyphenyl)(5-methylpyridin
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Mol. Formula:
C24H23N3O4
M.W.:
417.47
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
96.73
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4782018 Name:
ethyl 2-((8-hydroxyquinolin-7-yl)(phenyl)methylami
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Cas Number:
5335-99-9
Mol. Formula:
C25H22N2O3
M.W.:
398.46
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
71.45
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4550996 Name:
(E)-N-(4-(3-(3-Hydroxyphenyl)acryloyl)phenyl)thiop
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Mol. Formula:
C20H15NO3S
M.W.:
349.41
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4549234 Name:
(E)-3-(3-(3-Hydroxyphenyl)-3-oxoprop-1-en-1-yl)ben
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Mol. Formula:
C16H11NO2
M.W.:
249.27
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
61.09
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4756890 Name:
7-((2-methoxyphenylamino)(phenyl)methyl)quinolin-8
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Mol. Formula:
C23H20N2O2
M.W.:
356.43
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
54.38
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4777232 Name:
5-((4-Fluorophenyl)(piperidin-1-yl)methyl)benzo[d]
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Mol. Formula:
C19H19FN2OS
M.W.:
342.44
Type:
Unknown
AlogP:
4.72
Polar Surface Area:
36.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4776896 Name:
6-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)(piperidi
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Mol. Formula:
C21H19F2NO4
M.W.:
387.38
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
55.07
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4776561 Name:
6-((4-Fluorophenyl)(piperidin-1-yl)methyl)-2,3-dih
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Mol. Formula:
C21H24FNO
M.W.:
325.43
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4776335 Name:
1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(4-hydroxyph
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Mol. Formula:
C15H14N2O5
M.W.:
302.29
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
114.04
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4776190 Name:
4-((4-Fluorophenyl)(piperidin-1-yl)methyl)-1H-inda
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Mol. Formula:
C19H20FN3O
M.W.:
325.39
Type:
Unknown
AlogP:
3.98
Polar Surface Area:
52.15
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4764456 Name:
7-((2,6-dichlorophenyl)(pyridin-2-ylamino)methyl)q
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Mol. Formula:
C21H15Cl2N3O
M.W.:
396.28
Type:
Unknown
AlogP:
5.84
Polar Surface Area:
58.04
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4541398 Name:
Methyl-(E)-3-(3-(4-(N,N-dibutylsulfamoyl)phenyl)-3
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Mol. Formula:
C25H31NO5S
M.W.:
457.59
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
80.75
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
Type:
---
AlogP:
1.43
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4755661 Name:
7-((3-fluorophenyl)(4-methylpyridin-2-ylamino)meth
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Mol. Formula:
C22H18FN3O
M.W.:
359.40
Type:
Unknown
AlogP:
4.98
Polar Surface Area:
58.04
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4755608 Name:
6-((4-(Dimethylamino)phenyl)(pyrimidin-2-ylamino)m
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Mol. Formula:
C20H20N4O3
M.W.:
364.41
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
79.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4755000 Name:
1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(3,4,5-trime
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Mol. Formula:
C19H22N2O7
M.W.:
390.39
Type:
Unknown
AlogP:
2.17
Polar Surface Area:
107.51
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4753733 Name:
6-(Piperidin-1-yl(4-(trifluoromethyl)phenyl)methyl
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Mol. Formula:
C21H20F3NO2
M.W.:
375.39
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
36.61
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4753665 Name:
N-(4-(5,5-Difluoro-1,3,7,9-tetramethyl-5H-4(Gamma4
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Mol. Formula:
C39H39BF2N4O4
M.W.:
676.57
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4753606 Name:
6-(Piperidin-1-yl(pyridin-4-yl)methyl)benzofuran-7
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Mol. Formula:
C19H20N2O2
M.W.:
308.38
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
49.50
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
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