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ALA1097973 Name:
2-(5-{[(2S)-2-Amino-3-pyridin-4-ylpropyl]oxy}pyrid
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Mol. Formula:
C27H26N6O3
M.W.:
482.54
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
131.29
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1097972 Name:
2-(5-{[(2S)-2-Amino-3-(3,4-dichlorophenyl)propyl]o
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Mol. Formula:
C28H25Cl2N5O3
M.W.:
550.45
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA1096271 Name:
2-(5-{[(2S)-2-Amino-3-(3-chlorophenyl)propyl]oxy}p
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Mol. Formula:
C28H26ClN5O3
M.W.:
516.00
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1095931 Name:
2-(5-{[(2S)-2-Amino-3-(2-chlorophenyl)propyl]oxy}p
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Mol. Formula:
C28H26ClN5O3
M.W.:
516.00
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA1097604 Name:
2-(5-{[(2R)-2-Amino-3-(1H-indol-3-yl)propyl]oxy}py
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Mol. Formula:
C30H28N6O3
M.W.:
520.59
Type:
Small molecule
AlogP:
4.87
Polar Surface Area:
134.19
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA1095612 Name:
2-(5-{[(2S)-2-Amino-3-(1H-indol-3-yl)propyl]oxy}py
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Mol. Formula:
C30H28N6O3
M.W.:
520.59
Type:
Small molecule
AlogP:
4.87
Polar Surface Area:
134.19
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA1095285 Name:
2-[5-({(2R)-2-Amino-3-[3-(trifluoromethyl)phenyl]p
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Mol. Formula:
C29H26F3N5O3
M.W.:
549.55
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1098302 Name:
2-[5-({(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]p
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Mol. Formula:
C29H26F3N5O3
M.W.:
549.55
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1095622 Name:
2-(5-{[(2R)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p
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Mol. Formula:
C28H26FN5O3
M.W.:
499.55
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1095621 Name:
2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p
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Mol. Formula:
C28H26FN5O3
M.W.:
499.55
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1095294 Name:
2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-y
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1097602 Name:
2-(5-{[(2S)-2-Amino-3-phenylpropyl]oxy}pyridin-3-y
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1094637 Name:
2-(5-{[(2R)-2-Amino-4-methylpentyl]oxy}pyridin-3-y
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Mol. Formula:
C25H29N5O3
M.W.:
447.54
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1094321 Name:
2-(5-{[(2S)-2-Amino-4-methylpentyl]oxy}pyridin-3-y
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Mol. Formula:
C25H29N5O3
M.W.:
447.54
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1094320 Name:
2-(5-{[(2R)-2-Aminobutyl]oxy}pyridin-3-yl)-8,9-dim
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Mol. Formula:
C23H25N5O3
M.W.:
419.49
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1097956 Name:
2-(5-{[(2S)-2-Aminobutyl]oxy}pyridin-3-yl)-8,9-dim
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Mol. Formula:
C23H25N5O3
M.W.:
419.49
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1097955 Name:
2-(5-{[(2R)-2-Aminopropyl]oxy}pyridin-3-yl)-8,9-di
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Mol. Formula:
C22H23N5O3
M.W.:
405.46
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1095279 Name:
2-(5-{[(2S)-2-Aminopropyl]oxy}pyridin-3-yl)-8,9-di
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Mol. Formula:
C22H23N5O3
M.W.:
405.46
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1095278 Name:
2-[5-(2-Aminoethoxy)pyridin-3-yl]-8,9-dimethoxyben
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Mol. Formula:
C21H21N5O3
M.W.:
391.43
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
118.40
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3735078 Name:
(3Z)-N-(2-oxo-(3-(thiophen-2-ylmethylene)indolin-5
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Mol. Formula:
C14H12N2O3S2
M.W.:
320.40
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
75.27
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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