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ALA5287674 Name:
3-((3',4'-dichloro-[1,1'-biphenyl])-3-sulfonamido)benzoic acid
Mol. Formula:
C19H13Cl2NO4S
M.W.:
422.29
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.16
Polar Surface Area:
83.47
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5268625 Name:
2-(3-(2,5-dimethoxyphenyl)ureido)benzoic acid
Mol. Formula:
C16H16N2O5
M.W.:
316.31
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.05
Polar Surface Area:
96.89
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2418570 Name:
3-((Z)-((Z)-3-ethyl-5-(4-(2-methoxy-2-oxoethoxy)benzylidene)-4-oxothiazolidShow More⌵
Mol. Formula:
C22H20N2O6S
M.W.:
440.48
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2418569 Name:
3-((Z)-((Z)-5-(4-Hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amiShow More⌵
Mol. Formula:
C19H16N2O4S
M.W.:
368.41
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
90.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2418568 Name:
3-((Z)-((Z)-5-(4-Hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2ylidene)amiShow More⌵
Mol. Formula:
C18H14N2O4S
M.W.:
354.39
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
90.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2418567 Name:
3-((Z)-((Z)-5-(2-(carboxymethoxy)benzylidene)-3-isopropyl-4-oxothiazolidin-Show More⌵
Mol. Formula:
C22H20N2O6S
M.W.:
440.48
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2418566 Name:
3-((Z)-((Z)-3-isopropyl-5-(2-(2-methoxy-2-oxoethoxy)benzylidene)-4-oxothiazShow More⌵
Mol. Formula:
C23H22N2O6S
M.W.:
454.50
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2418565 Name:
3-((Z)-((Z)-3-allyl-5-(2-(carboxymethoxy)benzylidene)-4-oxothiazolidin-2-ylShow More⌵
Mol. Formula:
C22H18N2O6S
M.W.:
438.46
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2418564 Name:
3-((Z)-((Z)-3-allyl-5-(2-(2-methoxy-2-oxoethoxy)benzylidene)-4-oxothiazolidShow More⌵
Mol. Formula:
C23H20N2O6S
M.W.:
452.49
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2418563 Name:
3-((Z)-((Z)-5-(2-(carboxymethoxy)benzylidene)-3-ethyl-4-oxothiazolidin-2-ylShow More⌵
Mol. Formula:
C21H18N2O6S
M.W.:
426.45
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2418562 Name:
3-((Z)-((Z)-3-ethyl-5-(2-(2-methoxy-2-oxoethoxy)benzylidene)-4-oxothiazolidShow More⌵
Mol. Formula:
C22H20N2O6S
M.W.:
440.48
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2418561 Name:
3-((Z)-((Z)-3-ethyl-5-(2-hydroxybenzylidene)-4-oxothiazolidin-2-ylidene)amiShow More⌵
Mol. Formula:
C19H16N2O4S
M.W.:
368.41
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
90.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2418560 Name:
3-((Z)-((Z)-5-(2-(2-methoxy-2-oxoethoxy)benzylidene)-3-methyl-4-oxothiazoliShow More⌵
Mol. Formula:
C21H18N2O6S
M.W.:
426.45
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2418559 Name:
3-((Z)-((Z)-5-(2-hydroxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amShow More⌵
Mol. Formula:
C18H14N2O4S
M.W.:
354.39
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
90.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2418558 Name:
3-((Z)-((Z)-5-(2-(carboxymethoxy)benzylidene)-3-methyl-4-oxothiazolidin-2-yShow More⌵
Mol. Formula:
C20H16N2O6S
M.W.:
412.42
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2418557 Name:
(2Z,5Z)-2-(3-acetylphenylimino)-3-ethyl-5-(4-hydroxybenzylidene)thiazolidinShow More⌵
Mol. Formula:
C20H18N2O3S
M.W.:
366.44
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
69.97
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2418556 Name:
3-((Z)-((Z)-3-butyl-5-(4-(carboxymethoxy)benzylidene)-4-oxothiazolidin-2-ylShow More⌵
Mol. Formula:
C23H22N2O6S
M.W.:
454.50
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2418555 Name:
3-((Z)-((Z)-3-butyl-5-(4-(2-methoxy-2-oxoethoxy)benzylidene)-4-oxothiazolidShow More⌵
Mol. Formula:
C24H24N2O6S
M.W.:
468.53
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
105.50
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2418554 Name:
3-((Z)-((Z)-3-butyl-5-(4-hydroxybenzylidene)-4-oxothiazolidin-2-ylidene)amiShow More⌵
Mol. Formula:
C21H20N2O4S
M.W.:
396.47
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
90.20
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2418553 Name:
3-((Z)-((Z)-5-(4-(carboxymethoxy)benzylidene)-3-isopropyl-4-oxothiazolidin-Show More⌵
Mol. Formula:
C22H20N2O6S
M.W.:
440.48
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
116.50
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
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