Compounds

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ALA5306038
Name:
BI_0337
Mol. Formula:
C23H33ClN8O2
M.W.:
489.02

Type:
---
AlogP:
1.17
Polar Surface Area:
113.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4513418
Name:
3,5-diamino-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamiShow More⌵
Mol. Formula:
C11H13N9O2
M.W.:
303.29
48 activity values
13 unique targets
Type:
Unknown
AlogP:
-1.27
Polar Surface Area:
191.80
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2048655
Name:
S-allyl-L-cysteine sulfoxide
Mol. Formula:
C6H11NO3S
M.W.:
177.22
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.67
Polar Surface Area:
86.38
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
S-Allyl-L-cysteine
Name:
S-allyl-L-cysteine
Mol. Formula:
C6H11NO2S
M.W.:
161.23
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
63.32
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE