ID: ALA613129
Type: ORGANISM
Organism: Influenza B virus
Species Group: Influenza B virus
Name:
5-Acetylamino-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid
Mol. Formula:
C11H19NO9
M.W.:
309.27
Type:
Small molecule
AlogP:
-3.87
Polar Surface Area:
176.78
HBA:
8
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
Name:
methyl 2-(2-((S)-1-(3-fluorobenzamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate
Mol. Formula:
C20H20FN3O4S
M.W.:
417.46
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
Name:
methyl 2-(2-((S)-1-(2-methoxybenzamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate
Mol. Formula:
C21H23N3O5S
M.W.:
429.50
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
103.55
HBA:
8
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
Name:
methyl 5-methyl-2-(2-((S)-2-methyl-1-(4-methylpent-3-enamido)propyl)thiazol-4-yl)oxazole-4-carboxylate
Mol. Formula:
C19H25N3O4S
M.W.:
391.49
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
Name:
methyl 5-methyl-2-(2-((S)-2-methyl-1-pent-4-enamidopropyl)thiazol-4-yl)oxazole-4-carboxylate
Mol. Formula:
C18H23N3O4S
M.W.:
377.47
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
Name:
methyl 5-methyl-2-(2-((S)-2-methyl-1-(5-methylhex-4-enamido)propyl)thiazol-4-yl)oxazole-4-carboxylate
Mol. Formula:
C20H27N3O4S
M.W.:
405.52
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
Name:
methyl 2-(2-((S)-1-(2-cyclohexenylacetamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate
Mol. Formula:
C21H27N3O4S
M.W.:
417.53
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
Name:
methyl 2-(2-((S)-1-(2-cyclopentenylacetamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate
Mol. Formula:
C20H25N3O4S
M.W.:
403.50
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
Name:
methyl 2-((S)-1-(5-methyl-2-(2-((S)-2-methyl-1-(4-methylpent-3-enamido)propyl)thiazol-4-yl)oxazole-4-carboxamido)ethyl)oxazole-4-carboxylate
Mol. Formula:
C25H31N5O6S
M.W.:
529.62
Type:
Small molecule
AlogP:
4.54
Polar Surface Area:
149.45
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
Name:
methyl 2-(2-((S)-1-(cyclobutanecarboxamido)-2-methylpropyl)thiazol-4-yl)-5-methyloxazole-4-carboxylate
Mol. Formula:
C18H23N3O4S
M.W.:
377.47
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
94.32
HBA:
7
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77