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ALA5196942 Name:
3-amino-5-(2-(dimethylamino)ethyl)-8,9-dimethoxydi
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Mol. Formula:
C22H24N4O3
M.W.:
392.46
Type:
---
AlogP:
2.86
Polar Surface Area:
82.61
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5194864 Name:
2,3-dimethoxy-[1,3]dioxolo[4',5':4,5]benzo[1,2-i]p
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Mol. Formula:
C20H15NO4
M.W.:
333.34
Type:
---
AlogP:
4.29
Polar Surface Area:
49.81
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5186082 Name:
2-methoxy-[1,3]dioxolo[4,5-g]naphtho[1,2-c]cinnoli
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Mol. Formula:
C18H12N2O3
M.W.:
304.31
Type:
---
AlogP:
3.67
Polar Surface Area:
53.47
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5178685 Name:
2-amino-5-(2-(dimethylamino)ethyl)-8,9-dimethoxydi
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Mol. Formula:
C22H24N4O3
M.W.:
392.46
Type:
---
AlogP:
2.86
Polar Surface Area:
82.61
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA363340 Name:
12-(2-Ethylamino-ethyl)-2,3-dimethoxy-12H-8,10-dio
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Mol. Formula:
C23H23N3O5
M.W.:
421.45
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
83.84
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA195377 Name:
12-(2-Butylamino-ethyl)-2,3-dimethoxy-12H-8,10-dio
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Mol. Formula:
C25H27N3O5
M.W.:
449.51
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
83.84
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA191909 Name:
2,3-Dimethoxy-12-[2-(4-methyl-piperidin-1-yl)-ethy
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Mol. Formula:
C27H29N3O5
M.W.:
475.55
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA540712 Name:
12-[2-(Ethyl-propyl-amino)-ethyl]-2,3-dimethoxy-12
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Mol. Formula:
C26H29N3O5
M.W.:
463.53
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
83.84
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA192202 Name:
12-[2-(Benzyl-propyl-amino)-ethyl]-2,3-dimethoxy-1
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Mol. Formula:
C31H31N3O5
M.W.:
525.61
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA195107 Name:
2,3-Dimethoxy-12-(2-propylamino-ethyl)-12H-8,10-di
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Mol. Formula:
C24H25N3O5
M.W.:
435.48
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
83.84
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA195792 Name:
2,3-Dimethoxy-12-(2-piperazin-1-yl-ethyl)-12H-8,10
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Mol. Formula:
C25H26N4O5
M.W.:
462.51
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
87.08
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA194932 Name:
12-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-2,3-dimetho
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Mol. Formula:
C32H32N4O5
M.W.:
552.63
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
78.29
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA195611 Name:
12-[2-(Benzyl-butyl-amino)-ethyl]-2,3-dimethoxy-12
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Mol. Formula:
C32H33N3O5
M.W.:
539.63
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA363839 Name:
2,3-Dimethoxy-12-(2-pyrrolidin-1-yl-ethyl)-12H-8,1
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Mol. Formula:
C25H25N3O5
M.W.:
447.49
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA370251 Name:
12-[2-(Benzyl-methyl-amino)-ethyl]-2,3-dimethoxy-1
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Mol. Formula:
C29H27N3O5
M.W.:
497.55
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA195805 Name:
12-(2-Amino-ethyl)-2,3-dimethoxy-12H-8,10-dioxa-6,
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Mol. Formula:
C21H19N3O5
M.W.:
393.40
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
97.83
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA195102 Name:
2,3-Dimethoxy-12-[2-(4-methyl-piperazin-1-yl)-ethy
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Mol. Formula:
C26H28N4O5
M.W.:
476.53
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
78.29
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA195148 Name:
12-[2-(Benzyl-phenethyl-amino)-ethyl]-2,3-dimethox
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Mol. Formula:
C35H31N3O5
M.W.:
573.65
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA191245 Name:
12-(2-Dipropylamino-ethyl)-2,3-dimethoxy-12H-8,10-
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Mol. Formula:
C27H31N3O5
M.W.:
477.56
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
75.05
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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