Compounds

Select all

ALA3527032
Name:
7-Ethoxy-4-trifluoromethylcoumarin
Mol. Formula:
C12H9F3O3
M.W.:
258.19
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3526248
Name:
5-(2-chlorobenzyl)thieno[3,2-c]pyridin-5-ium
Mol. Formula:
C14H11ClNS+
M.W.:
260.77
6 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
3.88
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3526245
Name:
7-hydroxyticlopidine
Mol. Formula:
C14H14ClNOS
M.W.:
279.79
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
23.47
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1908229
Name:
tert-Butyl 1-methyl-2-propynyl Ether
Mol. Formula:
C8H14O
M.W.:
126.20
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
9.23
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.49
DETAILS
CLOSE
2,3-dihydrothieno-Thiadiazole Carboxylate
Name:
MTTC(1,2,3-thiadiazole)
Mol. Formula:
C6H4N2O2S2
M.W.:
200.24
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.54
Polar Surface Area:
52.08
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE