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ALA4483713 Name:
(S)-2-(2-((3'-(1-Amino-2-hydroxyethyl)-5-(methoxym
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Mol. Formula:
C25H27NO5
M.W.:
421.49
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
102.01
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4475961 Name:
2-(2-(3'-(Aminomethyl)-[1,1'-biphenyl]-3-carboxami
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Mol. Formula:
C22H20N2O3
M.W.:
360.41
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
92.42
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4535197 Name:
(S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-5-bromo-[1,
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Mol. Formula:
C23H22BrNO4
M.W.:
456.34
Type:
Unknown
AlogP:
4.31
Polar Surface Area:
92.78
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4554970 Name:
2-(2-(6-(3-(Aminomethyl)phenyl)picolinamido)phenyl
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Mol. Formula:
C21H19N3O3
M.W.:
361.40
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
105.31
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4516604 Name:
(R)-2-(2-((3'-(1-Aminoethyl)-[1,1'-biphenyl]-3-yl)
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Mol. Formula:
C23H23NO3
M.W.:
361.44
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
72.55
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4548070 Name:
(S)-2-(2-((3'-(1-Amino-2-hydroxyethyl)-[1,1'-biphe
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Cas Number:
1646682-14-5
Mol. Formula:
C23H23NO4
M.W.:
377.44
Type:
Unknown
AlogP:
3.55
Polar Surface Area:
92.78
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4546264 Name:
(R)-2-(2-((3'-(1-Amino-3-hydroxypropyl)-[1,1'-biph
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Mol. Formula:
C24H25NO4
M.W.:
391.47
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
92.78
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4584532 Name:
(S)-2-(2-((3'-(1-Amino-2-hydroxyethyl)-5-(2-hydrox
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Mol. Formula:
C26H29NO5
M.W.:
435.52
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
113.01
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4753864 Name:
1-(2-((1R,3S,5R)-3-((S)-1-(3-chloro-2-fluorophenyl
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Mol. Formula:
C23H22ClFN6O3
M.W.:
484.92
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
123.21
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4463116 Name:
(S)-2-(2-((3'-(1-Amino-2-hydroxyethyl)-5-(isopropy
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Mol. Formula:
C26H30N2O4
M.W.:
434.54
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
104.81
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4468000 Name:
2-(2-((3'-(Aminomethyl)-[1,1'-biphenyl]-3-yl)metho
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Mol. Formula:
C22H21NO3
M.W.:
347.41
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
72.55
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4465159 Name:
2-(2-(((3'-(Aminomethyl)-[1,1'-biphenyl]-3-yl)amin
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Mol. Formula:
C22H22N2O2
M.W.:
346.43
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
75.35
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4095470 Name:
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarbox
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Mol. Formula:
C22H20ClN5O3
M.W.:
437.89
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
109.46
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4103449 Name:
(S)-Pyrrolidine-1,2-dicarboxylic Acid-1-[(1-Methyl
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Mol. Formula:
C22H21F3N4O3
M.W.:
446.43
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
75.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4093577 Name:
(S)-Methyl 4-methyl-3-(2-((3-(trifluoromethoxy)phe
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Mol. Formula:
C22H22F3N3O5
M.W.:
465.43
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
96.97
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4089211 Name:
rac-5-fluoro-3-(2-phenylcyclopropanecarboxamido)-1
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Mol. Formula:
C19H15FN2O3
M.W.:
338.34
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
82.19
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4085766 Name:
5-fluoro-3-((1S,2S)-2-phenylcyclopropanecarboxamid
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Mol. Formula:
C19H15FN2O3
M.W.:
338.34
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
82.19
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4473829 Name:
Methyl 2-(2-(3'-(Aminomethyl)-[1,1'-biphenyl]-3-ca
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Mol. Formula:
C23H22N2O3
M.W.:
374.44
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
81.42
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4473278 Name:
2-(2-(((3'-(Aminomethyl)-[1,1'-biphenyl]-3-yl)oxy)
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Mol. Formula:
C22H21NO3
M.W.:
347.41
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
72.55
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3984248 Name:
US9452990, 20
Mol. Formula:
C24H25FN6O4
M.W.:
480.50
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
118.83
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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