Compounds

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ALA5289838
Name:
(((3,3'-(carbonylbis(azanediyl))bis(4-methylbenzoyl))bis(azanediyl))bis(napShow More⌵
Mol. Formula:
C37H34N4Na4O15S4
M.W.:
994.92

Type:
---
AlogP:
6.04
Polar Surface Area:
329.45
HBA:
7
HBD:
16
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA2386490
Name:
((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-4-(benzoyloxy)-3-hyShow More⌵
Mol. Formula:
C18H21N5O11P2S
M.W.:
577.41
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.84
Polar Surface Area:
238.67
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA394381
Name:
8-carboxy-iso-iantheran A
Mol. Formula:
C33H16Br4Na2O14S2
M.W.:
1066.21
11 activity values
4 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA336292
Name:
Adenosine triphosphate derivative
Mol. Formula:
C14H22Cl2N5O12P3S
M.W.:
648.25
6 activity values
5 unique targets
Type:
Small molecule
AlogP:
1.12
Polar Surface Area:
269.90
HBA:
14
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA339386
Name:
Bz-ATP
Mol. Formula:
C23H24N5O14P3
M.W.:
687.39
8 activity values
8 unique targets
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
285.20
HBA:
15
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE