Compounds

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ALA4538424
Name:
N-[2-(4-nitrophenyl)ethyl]bicyclo[2.2.1]heptan-2-a
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Mol. Formula:
C15H20N2O2
M.W.:
260.34

2 activity values

2 unique targets
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
55.17
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
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ALA4570783
Name:
(E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)-2-(
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Mol. Formula:
C26H26N4O3
M.W.:
442.52

18 activity values

5 unique targets
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
86.93
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
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ALA4543915
Name:
(E)-N'-(2-hydroxy-4-methylbenzylidene)-3-phenyl-1H
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Mol. Formula:
C18H16N4O2
M.W.:
320.35

4 activity values

4 unique targets
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
90.37
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5204494
Name:
(3Z)-3-(3-oxobenzothiophen-2-ylidene)-1-[(2S,3S,4S
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Mol. Formula:
C22H19NO7S
M.W.:
441.46

4 activity values

4 unique targets
Type:
---
AlogP:
0.53
Polar Surface Area:
127.53
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5202337
Name:
(3Z)-3-(3-oxobenzothiophen-2-ylidene)-1-[(2S,3R,4R
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Mol. Formula:
C22H19NO6S
M.W.:
425.46

4 activity values

4 unique targets
Type:
---
AlogP:
1.56
Polar Surface Area:
107.30
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE