ID: ALA2051
Type: SINGLE PROTEIN
Synonyms: 3.2.1.18 | NA | Neuraminidase
Organism: Influenza A virus (A/Puerto Rico/8/1934(H1N1))
Species Group: Influenza A virus (A/Puerto Rico/8/1934(H1N1))
Description | Relationship | Accession |
---|---|---|
Neuraminidase | PROTEIN | P03468 |
Name:
4-Amino-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester
Mol. Formula:
C10H18N2O4
M.W.:
230.26
Type:
Small molecule
AlogP:
0.27
Polar Surface Area:
92.86
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
Name:
1-Diisopropylcarbamoyl-4-(3,3-dimethyl-ureido)-pyrrolidine-3-carboxylic acid
Mol. Formula:
C15H28N4O4
M.W.:
328.41
Type:
Small molecule
AlogP:
0.88
Polar Surface Area:
93.19
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
Name:
4-Butylamino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
Mol. Formula:
C16H31N3O3
M.W.:
313.44
Type:
Small molecule
AlogP:
2.00
Polar Surface Area:
72.88
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.71
Name:
1-Diisopropylcarbamoyl-4-methylamino-pyrrolidine-3-carboxylic acid
Mol. Formula:
C13H25N3O3
M.W.:
271.36
Type:
Small molecule
AlogP:
0.83
Polar Surface Area:
72.88
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
Name:
4-Benzylamino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
Mol. Formula:
C19H29N3O3
M.W.:
347.46
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
72.88
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
Name:
4-Amino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
Mol. Formula:
C12H23N3O3
M.W.:
257.33
Type:
Small molecule
AlogP:
0.57
Polar Surface Area:
86.87
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
Name:
4-Amino-1-[(2-hydroxy-ethyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
Mol. Formula:
C11H21N3O4
M.W.:
259.31
Type:
Small molecule
AlogP:
-0.85
Polar Surface Area:
107.10
HBA:
4
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
Name:
4-Amino-1-[(3-carboxy-propyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
Mol. Formula:
C13H23N3O5
M.W.:
301.34
Type:
Small molecule
AlogP:
0.03
Polar Surface Area:
124.17
HBA:
4
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
Name:
4-Amino-1-[(5-hydroxy-pentyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
Mol. Formula:
C14H27N3O4
M.W.:
301.39
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
107.10
HBA:
4
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
Name:
1-Diisopropylcarbamoyl-4-guanidino-pyrrolidine-3-carboxylic acid
Mol. Formula:
C13H25N5O3
M.W.:
299.38
Type:
Small molecule
AlogP:
-0.12
Polar Surface Area:
125.25
HBA:
3
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49