Compounds

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ALA3313965
Name:
rac-2-[({5-[4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7Show More⌵
Mol. Formula:
C28H33FN4O10
M.W.:
604.59
32 activity values
9 unique targets
Type:
Small molecule
AlogP:
0.79
Polar Surface Area:
206.78
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2299411
Name:
trans-[3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ylidene]-6-methyl-1,3-benzothiazShow More⌵
Mol. Formula:
C18H14N2O2S
M.W.:
322.39
15 activity values
15 unique targets
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
43.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2299410
Name:
trans-[3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ylidene]-6-ethoxy-1,3-benzothiazShow More⌵
Mol. Formula:
C19H16N2O3S
M.W.:
352.42
15 activity values
15 unique targets
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
52.94
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2296045
Name:
trans-[3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ylidene]-6-chloro-1,3-benzothiazShow More⌵
Mol. Formula:
C17H11ClN2O2S
M.W.:
342.81
15 activity values
15 unique targets
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
43.71
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA2296044
Name:
trans-3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ylidene-1,3-benzothiazol-2-amine
Mol. Formula:
C17H12N2O2S
M.W.:
308.36
15 activity values
15 unique targets
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
43.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2296043
Name:
trans-[3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ylidene]-1,3-thiazol-2-amine
Mol. Formula:
C13H10N2O2S
M.W.:
258.30
15 activity values
15 unique targets
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
43.71
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE