Compounds

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ALA4061123
Name:
1,1'-(((1-Hydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9-oxo-9H-xanthenShow More⌵
Mol. Formula:
C32H44N6O8
M.W.:
640.74
43 activity values
13 unique targets
Type:
Small molecule
AlogP:
2.12
Polar Surface Area:
242.39
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3287155
Name:
1,5-bis(4-amidino-2,6-dimethoxyphenoxy)-3-oxapentane dihydrochloride
Mol. Formula:
C22H31ClN4O7
M.W.:
498.96
16 activity values
11 unique targets
Type:
Small molecule
AlogP:
1.76
Polar Surface Area:
164.35
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3287150
Name:
1,5-bis(4-amidino-2,6-dimethoxyphenoxy)-N-methyl-3-azapentane trihydrochlorShow More⌵
Mol. Formula:
C23H34ClN5O6
M.W.:
512.01
16 activity values
11 unique targets
Type:
Small molecule
AlogP:
1.68
Polar Surface Area:
158.36
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3287149
Name:
1,5-bis(4-amidino-2-methoxyphenoxy)-N-methyl-3-azapentane trihydrochloride
Mol. Formula:
C21H30ClN5O4
M.W.:
451.96
16 activity values
11 unique targets
Type:
Small molecule
AlogP:
1.66
Polar Surface Area:
139.90
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3287148
Name:
1,5-bis(4-amidinophenoxy)-N-methyl-3-azapentane trihydrochloride
Mol. Formula:
C19H26ClN5O2
M.W.:
391.90
16 activity values
11 unique targets
Type:
Small molecule
AlogP:
1.64
Polar Surface Area:
121.44
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE