Compounds

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Kojibiose
Name:
Kojibiose
Mol. Formula:
C12H22O11
M.W.:
342.30
2 activity values
1 unique targets
Type:
Unknown
AlogP:
-5.55
Polar Surface Area:
197.37
HBA:
11
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4574750
Name:
Adenosine 2',3'-cyclicphosphate
Mol. Formula:
C10H12N5O6P
M.W.:
329.21
2 activity values
1 unique targets
Type:
Unknown
AlogP:
-0.82
Polar Surface Area:
154.84
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4566376
Name:
Gamma-carboxyethyl hydroxychroman
Mol. Formula:
M.W.:

Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4556656
Name:
L-Glyceric acid
Mol. Formula:
C3H6O4
M.W.:
106.08
2 activity values
1 unique targets
Type:
Unknown
AlogP:
-1.58
Polar Surface Area:
77.76
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
19-hydroxy-4-androstene-3,17-dione
Name:
19-hydroxyandrost-4-ene-3,17-dione
Mol. Formula:
C19H26O3
M.W.:
302.41
36 activity values
2 unique targets
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA2447922
Name:
imidazolinone
Mol. Formula:
C3H4N2O
M.W.:
84.08
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.86
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.41
DETAILS
CLOSE
beta-Hydroxypyruvic acid
Name:
Hydroxypyruvic acid
Mol. Formula:
C3H4O4
M.W.:
104.06
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
-1.37
Polar Surface Area:
74.60
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE