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ALA2112019 Name:
(6-Benzyloxy-7-methoxy-3,4-dihydro-isoquinolin-1-y
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Mol. Formula:
C24H19NO4
M.W.:
385.42
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
68.65
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2094055 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C26H30ClNO8
M.W.:
519.98
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
159.54
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2094054 Name:
9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydro-
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Mol. Formula:
C26H28ClNO9
M.W.:
533.96
Type:
Small molecule
AlogP:
1.02
Polar Surface Area:
176.61
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2094053 Name:
Phenyl-carbamic acid 4-(4-amino-5-hydroxy-6-methyl
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Mol. Formula:
C32H33ClN2O10
M.W.:
641.07
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
197.87
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2094032 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C25H28ClNO8
M.W.:
505.95
Type:
Small molecule
AlogP:
1.45
Polar Surface Area:
159.54
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2094031 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C26H30ClNO9
M.W.:
535.98
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
179.77
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2094030 Name:
Phenyl-carbamic acid 1-[4-(4-amino-5-hydroxy-6-met
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Mol. Formula:
C33H35ClN2O10
M.W.:
655.10
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
197.87
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2094029 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C25H28ClNO9
M.W.:
521.95
Type:
Small molecule
AlogP:
0.42
Polar Surface Area:
179.77
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2093889 Name:
Phenyl-carbamic acid 4-(4-amino-5-hydroxy-6-methyl
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Mol. Formula:
C32H33ClN2O9
M.W.:
625.07
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
177.64
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2093888 Name:
Phenyl-carbamic acid 4-(4-amino-5-methoxy-6-methyl
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Mol. Formula:
C32H33ClN2O10
M.W.:
641.07
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
197.87
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2093887 Name:
Phenyl-carbamic acid 1-[4-(4-amino-5-hydroxy-6-met
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Mol. Formula:
C33H35ClN2O10
M.W.:
655.10
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
197.87
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA2093886 Name:
9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydro-
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Mol. Formula:
C26H28ClNO9
M.W.:
533.96
Type:
Small molecule
AlogP:
1.02
Polar Surface Area:
176.61
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2093885 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
Show More⌵
Mol. Formula:
C25H28ClNO8
M.W.:
505.95
Type:
Small molecule
AlogP:
1.45
Polar Surface Area:
159.54
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2093884 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
Show More⌵
Mol. Formula:
C26H30ClNO8
M.W.:
519.98
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
159.54
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2093883 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
Show More⌵
Mol. Formula:
C26H30ClNO9
M.W.:
535.98
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
179.77
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2093882 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C25H28ClNO9
M.W.:
521.95
Type:
Small molecule
AlogP:
0.42
Polar Surface Area:
179.77
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA538509 Name:
7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
Show More⌵
Mol. Formula:
C26H30ClNO9
M.W.:
535.98
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
179.77
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA553479 Name:
4-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C31H31ClN2O9
M.W.:
611.05
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
188.64
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA541306 Name:
9-Acetyl-7-(4-amino-5-methoxy-6-methyl-tetrahydro-
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Mol. Formula:
C27H30ClNO9
M.W.:
547.99
Type:
Small molecule
AlogP:
1.67
Polar Surface Area:
165.61
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA554991 Name:
4-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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Mol. Formula:
C32H33ClN2O9
M.W.:
625.07
Type:
Small molecule
AlogP:
1.75
Polar Surface Area:
188.64
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
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