Compounds

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ALA576555
Name:
6-chloro-3-(3,4-dichlorophenoxy)-2-(3-(3-(trifluoromethyl)phenyl)ureido)benShow More⌵
Mol. Formula:
C20H12Cl3F3N2O5S
M.W.:
555.75
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
7.35
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA573503
Name:
2-(5-((4-chlorophenylthio)methyl)-1,3,4-thiadiazol-2-ylamino)-5-methylbenzeShow More⌵
Mol. Formula:
C16H14ClN3O3S3
M.W.:
427.96
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
92.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA575313
Name:
6-chloro-2-(3-(4-chloro-2-methylphenyl)ureido)-3-(4-chlorophenoxy)benzenesuShow More⌵
Mol. Formula:
C20H15Cl3N2O5S
M.W.:
501.78
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
6.64
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA583965
Name:
5-formylthiophen-2-ylboronic acid
Mol. Formula:
C5H5BO3S
M.W.:
155.97
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
5-Cyanothiophene-2-boronicacid(contains varying amounts of Anhydride)
Name:
5-cyanothiophen-2-ylboronic acid
Mol. Formula:
C5H4BNO2S
M.W.:
152.97
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE