Compounds

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ALA4550207
Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(5-(2-methoxyethoxy)-3,4-dihShow More⌵
Mol. Formula:
C27H36N4O5
M.W.:
496.61
9 activity values
8 unique targets
Type:
Unknown
AlogP:
1.57
Polar Surface Area:
106.36
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
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ALA4476255
Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵
Mol. Formula:
C33H36N6O3
M.W.:
564.69
10 activity values
8 unique targets
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
115.37
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
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ALA4448473
Name:
(2S,4S)-1-(4-(aminomethyl)benzoyl)-4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-Show More⌵
Mol. Formula:
C32H34N6O2
M.W.:
534.66
9 activity values
7 unique targets
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
106.14
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
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ALA4441232
Name:
(2S,4S)-1-(4-(aminomethyl)-3-methoxybenzoyl)-4-(4-cyclopropyl-1H-1,2,3-triaShow More⌵
Mol. Formula:
C31H38N6O3
M.W.:
542.68
6 activity values
6 unique targets
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
115.37
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
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ALA4435850
Name:
4-(aminomethyl)phenyl(2-naphthyl)carbonate
Mol. Formula:
C18H15NO3
M.W.:
293.32
52 activity values
19 unique targets
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
61.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
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Ro 25-1553
Name:
(9S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,46S,49S,52S,55S,58S,61S,67SShow More⌵
Mol. Formula:
C160H258N46O46
M.W.:
3562.10
3 activity values
3 unique targets
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4282016
Name:
(2S,5S,12S,22S,23R)-2-((S)-2-((1S,2S)-2-((S)-2-((S)-2-((3S,4R)-4-((3S,6S,9SShow More⌵
Mol. Formula:
C165H261N45O47
M.W.:
3627.17
5 activity values
5 unique targets
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE