Compounds

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ALA4592844
Name:
2-(Prop-2-yn-1-ylthio)-4-(thiazol-2-ylthio)-6-(p-tolyl)pyrimidine-5-carboniShow More⌵
Mol. Formula:
C18H12N4S3
M.W.:
380.52
127 activity values
22 unique targets
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
62.46
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4587567
Name:
2-(Prop-2-yn-1-ylthio)-4-(1H-pyrrol-2-yl)-6-(thiazol-2-ylthio)-pyrimidine-5Show More⌵
Mol. Formula:
C15H9N5S3
M.W.:
355.47
7 activity values
6 unique targets
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
78.25
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4531251
Name:
4-(Benzo[d]thiazol-2-ylthio)-2-(prop-2-yn-1-ylthio)-6-(3,4,5-trimethoxyphenShow More⌵
Mol. Formula:
C24H18N4O3S3
M.W.:
506.63
7 activity values
6 unique targets
Type:
Unknown
AlogP:
5.53
Polar Surface Area:
90.15
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4470342
Name:
4-(4-Chlorophenyl)-2-(prop-2-yn-1-ylthio)-6-(thiazol-2-ylthio)-pyrimidine-5Show More⌵
Mol. Formula:
C17H9ClN4S3
M.W.:
400.94
7 activity values
6 unique targets
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
62.46
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4458672
Name:
4-(3-Chlorophenyl)-6-((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)-2-Show More⌵
Mol. Formula:
C19H17ClN8S2
M.W.:
456.99
7 activity values
6 unique targets
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
96.41
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4454488
Name:
4-(4-Bromophenyl)-2-(prop-2-yn-1-ylthio)-6-(thiazol-2-ylthio)-pyrimidine-5-Show More⌵
Mol. Formula:
C17H9BrN4S3
M.W.:
445.39
7 activity values
6 unique targets
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
62.46
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4442915
Name:
4-(4-Chlorophenyl)-6-((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)-2-Show More⌵
Mol. Formula:
C19H17ClN8S2
M.W.:
456.99
7 activity values
6 unique targets
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
96.41
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE