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ALA4102228 Name:
3-(2-chloro-7-((dimethylamino)methyl)naphthalen-1-
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Mol. Formula:
C25H20ClN3O2
M.W.:
429.91
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
65.20
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4101316 Name:
3-(2-chloro-7-((2-methoxyethylamino)methyl)naphtha
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Mol. Formula:
C27H24ClN3O3
M.W.:
473.96
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
72.36
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4100747 Name:
N-((7-chloro-8-(4-(1-methyl-1H-indol-3-yl)-2,5-dio
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Mol. Formula:
C27H22ClN3O3
M.W.:
471.94
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
71.41
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4099609 Name:
3-(7-(aminomethyl)-2-methylnaphthalen-1-yl)-4-(1H-
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Mol. Formula:
C24H19N3O2
M.W.:
381.44
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
87.98
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4089217 Name:
3-(7-(azetidin-1-ylmethyl)-2-chloronaphthalen-1-yl
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Mol. Formula:
C27H22ClN3O2
M.W.:
455.95
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
54.34
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4085837 Name:
3-(2-chloro-6-((dimethylamino)methyl)naphthalen-1-
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Mol. Formula:
C25H20ClN3O2
M.W.:
429.91
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
65.20
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4089665 Name:
3-(7-(aminomethyl)-2-chloronaphthalen-1-yl)-4-(1-m
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Mol. Formula:
C24H18ClN3O2
M.W.:
415.88
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3987185 Name:
US9452998, 89
Mol. Formula:
C24H27F3N8O3
M.W.:
532.53
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
154.40
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3984070 Name:
US9452998, 7
Mol. Formula:
C24H27F3N10O2
M.W.:
544.54
Type:
Small molecule
AlogP:
1.95
Polar Surface Area:
161.30
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3984009 Name:
US9452998, 46
Mol. Formula:
C28H32N10O2
M.W.:
540.63
Type:
Small molecule
AlogP:
2.47
Polar Surface Area:
161.30
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4073977 Name:
3-(2-chloro-7-((cyclopropyl(methyl)amino)methyl)na
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Mol. Formula:
C28H24ClN3O2
M.W.:
469.97
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
54.34
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4072879 Name:
3-(2-chloro-7-((methylamino)methyl)naphthalen-1-yl
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Mol. Formula:
C25H20ClN3O2
M.W.:
429.91
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
63.13
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4072709 Name:
3-(6-(aminomethyl)naphthalen-1-yl)-4-(1-methyl-1H-
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Mol. Formula:
C24H19N3O2
M.W.:
381.44
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4061321 Name:
3-(7-(aminomethyl)naphthalen-1-yl)-4-(1H-indol-3-y
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Mol. Formula:
C23H17N3O2
M.W.:
367.41
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
87.98
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4083319 Name:
3-(2-chloro-7-((isopropylamino)methyl)naphthalen-1
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Mol. Formula:
C27H24ClN3O2
M.W.:
457.96
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
63.13
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4083182 Name:
3-(7-(aminomethyl)naphthalen-1-yl)-4-(1-methyl-1H-
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Mol. Formula:
C24H19N3O2
M.W.:
381.44
Type:
Small molecule
AlogP:
3.36
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4078759 Name:
3-(7-(aminomethyl)-2-methylnaphthalen-1-yl)-4-(1-m
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Mol. Formula:
C25H21N3O2
M.W.:
395.46
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4077967 Name:
3-(2-chloro-7-((dimethylamino)methyl)naphthalen-1-
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Cas Number:
860468-10-6
Mol. Formula:
C26H22ClN3O2
M.W.:
443.93
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
54.34
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4068028 Name:
3-(2-chloro-7-((4-methylpiperazin-1-yl)methyl)naph
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Mol. Formula:
C29H27ClN4O2
M.W.:
499.01
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
57.58
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4064291 Name:
3-(2-chloro-6-((dimethylamino)methyl)naphthalen-1-
Show More⌵
Mol. Formula:
C26H22ClN3O2
M.W.:
443.93
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
54.34
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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