Compounds

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ALA3609692
Name:
1,4-dihydro-1-(Acetoxymethyl)-4-phenyl-5H-tetrazol
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Mol. Formula:
C10H10N4O2S
M.W.:
250.28

9 activity values

7 unique targets
Type:
Small molecule
AlogP:
1.32
Polar Surface Area:
61.94
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
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ALA3609691
Name:
1,4-dihydro-1-(Acetoxymethyl)-4-phenyl-5H-tetrazol
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Mol. Formula:
C10H10N4O3
M.W.:
234.22

9 activity values

7 unique targets
Type:
Small molecule
AlogP:
-0.05
Polar Surface Area:
79.01
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
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ALA3609690
Name:
1-(hydroxymethyl)-4-phenyl-1H-tetrazole-5(4H)-thio
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Cas Number:
32550-63-3

Mol. Formula:
C8H8N4OS
M.W.:
208.25

9 activity values

7 unique targets
Type:
Small molecule
AlogP:
0.75
Polar Surface Area:
55.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
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ALA3609689
Name:
1-(hydroxymethyl)-4-phenyl-1H-tetrazol-5(4H)-one

Mol. Formula:
C8H8N4O2
M.W.:
192.18

9 activity values

7 unique targets
Type:
Small molecule
AlogP:
-0.62
Polar Surface Area:
72.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
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ALA3608537
Name:
1,4-dihydro-4,4'-(hexane-1,6-diyl)bis(1-phenyltetr
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Mol. Formula:
C20H22N8O2
M.W.:
406.45

7 activity values

7 unique targets
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
105.42
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3608536
Name:
1,4-dihydro-1-(benzyl)-4-phenyl-5H-tetrazol-5-one

Cas Number:
61249-36-3

Mol. Formula:
C14H12N4O
M.W.:
252.28

7 activity values

7 unique targets
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
52.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE