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ALA4546520 Name:
N-[4-(Diethylamino)phenyl]-5-methyl-4-phenylthioph
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Mol. Formula:
C22H24N2OS
M.W.:
364.51
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
32.34
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4550877 Name:
3-(4-Cyanophenyl)-1-[4-(diethylamino)benzyl]-1-(5-
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Mol. Formula:
C29H29N5O2
M.W.:
479.58
Type:
Unknown
AlogP:
6.61
Polar Surface Area:
85.40
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4556312 Name:
4-(N,5-Dimethyl-3-phenylisoxazole-4-carboxamido)be
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Mol. Formula:
C19H16N2O4
M.W.:
336.35
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
83.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4559136 Name:
N-[4-[Ethyl(isopropyl)amino]phenyl]-3-methyl-5-phe
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Mol. Formula:
C22H25N3O2
M.W.:
363.46
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4558107 Name:
N-[4-(Diethylamino)phenyl]-N,5-dimethyl-3-phenylis
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Mol. Formula:
C22H25N3OS
M.W.:
379.53
Type:
Unknown
AlogP:
5.31
Polar Surface Area:
32.51
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4555416 Name:
N-[4-(Diethylamino)phenyl]-5-methyl-3-phenylisoxaz
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Mol. Formula:
C21H23N3OS
M.W.:
365.50
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
41.30
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4552264 Name:
N-(3-Hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl
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Mol. Formula:
C22H24N2O4
M.W.:
380.44
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
75.80
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4552000 Name:
2-Cyanoethyl 4-[(5-Methyl-3-phenylisoxazol-4-yl)me
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Mol. Formula:
C21H18N2O4
M.W.:
362.39
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
85.35
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4551852 Name:
N-[4-(Dimethylamino)phenyl]-5-methyl-3-(3-nitrophe
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Mol. Formula:
C19H18N4O4
M.W.:
366.38
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
101.51
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4538691 Name:
2-Oxopropyl 4-[(5-methyl-3-phenylisoxazol-4-yl)met
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Mol. Formula:
C21H19NO5
M.W.:
365.39
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
78.63
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4538433 Name:
N-[4-(tert-Butyl)thiazol-2-yl]-5-methyl-3-phenylis
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Mol. Formula:
C18H19N3O2S
M.W.:
341.44
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
68.02
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4537362 Name:
N-[4-(Diethylamino)phenyl]-5-methyl-3-(thiophen-3-
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Mol. Formula:
C19H21N3O2S
M.W.:
355.46
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
58.37
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4537081 Name:
N-[4-(Diethylamino)phenyl]-5-phenyloxazole-4-carbo
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Mol. Formula:
C20H21N3O2
M.W.:
335.41
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4536598 Name:
N-[4-(Diethylamino)phenyl]-3-[4'-fluoro-[1,1'-biph
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Mol. Formula:
C27H26FN3O2
M.W.:
443.52
Type:
Unknown
AlogP:
6.55
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4534185 Name:
N,N-Diethyl-4-[(5-methyl-3-phenylisoxazol-4-yl)met
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Mol. Formula:
C22H24N2O3
M.W.:
364.45
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
55.57
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4533999 Name:
N-[4-(Diethylamino)phenyl]-5-(furan-2-yl)oxazole-4
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Mol. Formula:
C18H19N3O3
M.W.:
325.37
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
71.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4532293 Name:
E/Z-2-Fluoroethyl N-[4-(diethylamino)phenyl]-5-met
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Mol. Formula:
C23H26FN3OS
M.W.:
411.55
Type:
Unknown
AlogP:
6.28
Polar Surface Area:
41.63
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4532283 Name:
N-[4-(diethylamino)phenyl]thiophene-3-carboxamide
Mol. Formula:
C15H18N2OS
M.W.:
274.39
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
32.34
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA4092074 Name:
5-methyl-N-(4-(1-methyl-1H-imidazol-2-ylthio)pheny
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Mol. Formula:
C21H18N4O2S
M.W.:
390.47
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
72.95
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4091690 Name:
5-methyl-N-(4-phenoxyphenyl)-3-phenylisoxazole-4-c
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Cas Number:
438472-70-9
Mol. Formula:
C23H18N2O3
M.W.:
370.41
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
64.36
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
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