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ALA5269776 Name:
4-hydroxyisoxazole-3-carboxylic acid
Mol. Formula:
C4H3NO4
M.W.:
129.07
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
0.08
Polar Surface Area:
83.56
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5273252 Name:
5-hydroxy-3-methyl-triazole-4-carboxylic acid
Mol. Formula:
C4H5N3O3
M.W.:
143.10
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-0.78
Polar Surface Area:
88.24
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5285616 Name:
5-hydroxy-2-methyl-triazole-4-carboxylic acid
Mol. Formula:
C4H5N3O3
M.W.:
143.10
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-0.78
Polar Surface Area:
88.24
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1235045 Name:
4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Mol. Formula:
C3H2N2O4
M.W.:
130.06
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
-0.53
Polar Surface Area:
96.45
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA242020 Name:
({2-methoxy-4-[2-({5-hydroxy-2-[(4-methoxybenzylamino)carbonyl]-4-oxo-4H-chShow More⌵
Mol. Formula:
C29H26N2O10
M.W.:
562.53
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
173.63
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA390488 Name:
({2-cyano-4-[2-({5-hydroxy-2-[(4-methoxybenzylamino)carbonyl]-4-oxo-4H-chroShow More⌵
Mol. Formula:
C29H23N3O9
M.W.:
557.52
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
188.19
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA242019 Name:
({4-[2-({5-hydroxy-2-[(4-methoxybenzylamino)carbonyl]-4-oxo-4H-chromen-7-ylShow More⌵
Mol. Formula:
C28H24N2O9
M.W.:
532.51
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
164.40
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA390487 Name:
7-(2-{4-[(carboxycarbonyl)amino]-3-methoxyphenyl}ethoxy)-5-hydroxy-4-oxo-4HShow More⌵
Mol. Formula:
C21H17NO10
M.W.:
443.36
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
172.60
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA245247 Name:
7-(2-{4-[(carboxycarbonyl)amino]phenyl}ethoxy)-5-hydroxy-4-oxo-4H-chromene-Show More⌵
Mol. Formula:
C20H15NO9
M.W.:
413.34
Type:
Small molecule
AlogP:
1.84
Polar Surface Area:
163.37
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA245025 Name:
7-({4-[(carboxycarbonyl)amino]-3-methoxybenzyl}oxy)-5-hydroxy-4-oxo-4H-chroShow More⌵
Mol. Formula:
C20H15NO10
M.W.:
429.34
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
172.60
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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