Compounds

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ALA2272831
Name:
1-(4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl)-3,5
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Cas Number:
106082-26-2

Mol. Formula:
C14H11ClFN3O3
M.W.:
323.71

7 activity values

3 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
70.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
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ALA2272821
Name:
5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylp
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Cas Number:
86398-96-1

Mol. Formula:
C11H5Cl2F3N4
M.W.:
321.09

7 activity values

3 unique targets
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
67.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.87
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ALA2272820
Name:
5-Chloro-1-(4-chloro-5-difluoromethoxy-2-fluorophe
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Cas Number:
106969-03-3

Mol. Formula:
C14H11Cl2F3N2O
M.W.:
351.15

7 activity values

3 unique targets
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
27.05
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
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ALA2269734
Name:
2-(4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl)-4,5
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Cas Number:
84478-42-2

Mol. Formula:
C17H13ClFNO3
M.W.:
333.75

14 activity values

4 unique targets
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
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ALA2268925
Name:
methyl 2-(2-chloro-5-(1,3-dithioxotetrahydro-1H-[1
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Mol. Formula:
C15H15ClFN3O2S3
M.W.:
419.96

5 activity values

3 unique targets
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
41.09
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE