Compounds

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ALA4443178
Name:
2-acetyl-9,10-dihydro-9,10-[3,4]epipyrroloanthracene-12,14-dione
Mol. Formula:
C20H15NO3
M.W.:
317.34
7 activity values
5 unique targets
Type:
Unknown
AlogP:
2.37
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
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ALA3736243
Name:
1-(2,6-dichlorophenoxy)propane-2-amine
Mol. Formula:
C9H11Cl2NO
M.W.:
220.10
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
35.25
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
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ALA3735191
Name:
5-(((1-(2,6-Dimethylphenoxy)propan-2-yl)amino)methyl)-1,1,3,3-tetramethylisShow More⌵
Mol. Formula:
C24H33N2O2
M.W.:
381.54
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
44.40
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
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ALA3408531
Name:
(R)-4-(4-Bromophenyl)-4-(2,2,2-trifluoroethoxy)-4H-[1,2,4]oxadiazolo[3,4-c]Show More⌵
Mol. Formula:
C17H10BrF3N2O3S
M.W.:
459.24
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
57.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3408530
Name:
(S)-4-(4-Bromophenyl)-4-(2,2,2-trifluoroethoxy)-4H-[1,2,4]oxadiazolo[3,4-c]Show More⌵
Mol. Formula:
C17H10BrF3N2O3S
M.W.:
459.24
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
57.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3408529
Name:
(rac)-4-(4-Bromophenyl)-4-(2,2,2-trifluoroethoxy)-4H-[1,2,4]oxadiazolo[3,4-Show More⌵
Mol. Formula:
C17H10BrF3N2O3S
M.W.:
459.24
16 activity values
10 unique targets
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
57.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3408528
Name:
(R)-4-(4-Bromophenyl)-4-ethoxy-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzothiazinShow More⌵
Mol. Formula:
C17H13BrN2O3S
M.W.:
405.27
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
57.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3408526
Name:
(rac)-4-(4-Bromophenyl)-4-ethoxy-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzothiazShow More⌵
Mol. Formula:
C17H13BrN2O3S
M.W.:
405.27
17 activity values
10 unique targets
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
57.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE