Compounds

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ALA4289546
Name:
4-hydroxy-3-(1-(p-tolylamino)ethyl)-2H-chromen-2-one
Mol. Formula:
C18H17NO3
M.W.:
295.34
14 activity values
13 unique targets
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
62.47
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4282335
Name:
4-hydroxy-3-(1-(4-nitrophenylamino)ethyl)-2H-chromen-2-one
Mol. Formula:
C17H14N2O5
M.W.:
326.31
14 activity values
13 unique targets
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
105.61
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3752616
Name:
5-(4-hydroxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dioShow More⌵
Mol. Formula:
C14H13N3O3
M.W.:
271.28
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
0.94
Polar Surface Area:
80.02
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3753603
Name:
5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dionShow More⌵
Mol. Formula:
C14H12ClN3O2
M.W.:
289.72
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
59.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3754644
Name:
1,3-dimethyl-5-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Mol. Formula:
C14H13N3O2
M.W.:
255.28
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.23
Polar Surface Area:
59.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA611361
Name:
2-Acetyl-5-hydroxy-naphtho[2,3-b]furan-4,9-dione
Mol. Formula:
C14H8O5
M.W.:
256.21
36 activity values
21 unique targets
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
84.58
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE