ID: ALA1764934
Type: SINGLE PROTEIN
Synonyms: Hemagglutinin-neuraminidase
Organism: Human parainfluenza virus 1
Species Group: Human parainfluenza virus 1
Protein Target Classification: Enzyme
Description | Relationship | Accession |
---|---|---|
Hemagglutinin-neuraminidase | PROTEIN | Q06992 |
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethylamino)-3-(methylsulfonylimino)propoxy]-D-glycero-D-galactonon-2-enonic acid
Mol. Formula:
C19H33N3O10S
M.W.:
495.55
Type:
Small molecule
AlogP:
-1.95
Polar Surface Area:
195.29
HBA:
9
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(phenylamino)-3-(methanesulfonylimino)propoxy]-D-glycero-D-galactonon-2-enonic acid
Mol. Formula:
C21H29N3O10S
M.W.:
515.54
Type:
Small molecule
AlogP:
-1.18
Polar Surface Area:
204.08
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethylamino)-3-(tosylimino)propoxy]-D-glycero-D-galacto-non-2-enonic acid
Mol. Formula:
C25H37N3O10S
M.W.:
571.65
Type:
Small molecule
AlogP:
-0.21
Polar Surface Area:
195.29
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diisopropylamino)-3-(tosylimino)propoxy]-D-glycero-D-galacto-non-2-enonic acid
Mol. Formula:
C27H41N3O10S
M.W.:
599.70
Type:
Small molecule
AlogP:
0.56
Polar Surface Area:
195.29
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopropylamino)-3-(tosylimino)-propoxy]-D-glycero-D-galacto-non-2-enonic acid
Mol. Formula:
C24H35N3O10S
M.W.:
557.62
Type:
Small molecule
AlogP:
-0.56
Polar Surface Area:
204.08
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-phenyl-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galacto-non-2-enonic acid
Mol. Formula:
C20H27N3O9S
M.W.:
485.52
Type:
Small molecule
AlogP:
-1.87
Polar Surface Area:
194.85
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(4-fluorophenyl)-N'-(methylsulfonyl)acetimidamido]-D-glycero-Dgalacto-non-2-enonic acid
Mol. Formula:
C20H26FN3O9S
M.W.:
503.51
Type:
Small molecule
AlogP:
-1.73
Polar Surface Area:
194.85
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
Name:
(2R,3R,4S)-3-acetamido-4-(N'-(methylsulfonyl)-2-(4-propylphenyl)acetimidamido)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Mol. Formula:
C23H33N3O9S
M.W.:
527.60
Type:
Small molecule
AlogP:
-0.92
Polar Surface Area:
194.85
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-cyclohexenyl-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galacto-non-2-enonic acid
Mol. Formula:
C20H31N3O9S
M.W.:
489.55
Type:
Small molecule
AlogP:
-1.22
Polar Surface Area:
194.85
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
Name:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(thiophen-2-yl)-N'-(methylsulfonyl)acetimidamido]-D-glycero-D-galactonon-2-enonic acid
Mol. Formula:
C18H25N3O9S2
M.W.:
491.54
Type:
Small molecule
AlogP:
-1.81
Polar Surface Area:
194.85
HBA:
9
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17