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ALA5276182 Name:
N-(2-chloro-4-fluorobenzyl)-3-methoxybenzo[b]thiophene-2-carboxamide
Mol. Formula:
C17H13ClFNO2S
M.W.:
349.81
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.63
Polar Surface Area:
38.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5290395 Name:
5-chloro-N-(2,4-dimethoxybenzyl)-3-methoxybenzo[b]thiophene-2-carboxamide
Mol. Formula:
C19H18ClNO4S
M.W.:
391.88
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.51
Polar Surface Area:
56.79
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5288309 Name:
N-(2-bromobenzyl)-3-methoxybenzo[b]thiophene-2-carboxamide
Mol. Formula:
C17H14BrNO2S
M.W.:
376.27
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.60
Polar Surface Area:
38.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5266845 Name:
N-(3,5-dimethoxybenzyl)-3-methoxybenzo[b]thiophene-2-carboxamide
Mol. Formula:
C19H19NO4S
M.W.:
357.43
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.86
Polar Surface Area:
56.79
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5208354 Name:
N-(5-(3-(5-(4-acryloyl-2-oxopiperazin-1-yl)furan-2-yl)propanamido)pentyl)-3Show More⌵
Mol. Formula:
C43H44F2N6O8
M.W.:
810.85
Type:
---
AlogP:
5.65
Polar Surface Area:
172.41
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5204350 Name:
(2S,3S,4S,5S)-4-((5-((3S,5S,7S)-adamantan-1-yl)-2-methoxybenzyl)amino)-3-(tShow More⌵
Mol. Formula:
C40H54N2O4
M.W.:
626.88
Type:
---
AlogP:
7.90
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5202275 Name:
1-(2-methoxy-5-methyl-phenyl)-N-[(2-methyl-5-quinolyl)sulfonyl]-2-(p-tolyl)Show More⌵
Mol. Formula:
C29H28N2O4S
M.W.:
500.62
Type:
---
AlogP:
5.10
Polar Surface Area:
85.36
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5194869 Name:
Mol. Formula:
C18H20F6N4O3
M.W.:
454.37
Type:
---
AlogP:
4.46
Polar Surface Area:
107.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5193680 Name:
1-(2-methoxy-5-methyl-phenyl)-N-[(2-methyl-5-quinolyl)sulfonyl]-2-[3-(triflShow More⌵
Mol. Formula:
C29H25F3N2O4S
M.W.:
554.59
Type:
---
AlogP:
5.81
Polar Surface Area:
85.36
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5190632 Name:
(2S,3S,4S,5S)-3-(tert-butyl)-4-(((5-(tert-butyl)-2-methoxypyridin-3-yl)methShow More⌵
Mol. Formula:
C33H47N3O4
M.W.:
549.76
Type:
---
AlogP:
6.13
Polar Surface Area:
91.76
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5190310 Name:
Mol. Formula:
C17H18F6N4O4
M.W.:
456.34
Type:
---
AlogP:
3.19
Polar Surface Area:
127.52
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5190229 Name:
N-(3-(5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)propyl)-5-phenylisoxazole-3-cShow More⌵
Mol. Formula:
C16H17N5O3
M.W.:
327.34
Type:
---
AlogP:
1.25
Polar Surface Area:
106.07
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5189965 Name:
Mol. Formula:
C16H16F6N4O2S
M.W.:
442.39
Type:
---
AlogP:
4.54
Polar Surface Area:
98.06
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5187430 Name:
Mol. Formula:
C16H16F6N4O3
M.W.:
426.32
Type:
---
AlogP:
3.83
Polar Surface Area:
107.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5187015 Name:
(2S,3S,4S,5S)-3-(tert-butyl)-1-(cyclohexanecarbonyl)-4-((2-methoxy-5-(tricyShow More⌵
Mol. Formula:
C36H46N2O4
M.W.:
570.77
Type:
---
AlogP:
6.48
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5186971 Name:
1-(2-methoxy-5-methyl-phenyl)-2-(3-methoxyphenyl)-N-[(2-methyl-5-quinolyl)sShow More⌵
Mol. Formula:
C29H28N2O5S
M.W.:
516.62
Type:
---
AlogP:
4.80
Polar Surface Area:
94.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5182531 Name:
Mol. Formula:
C17H18F6N4O3
M.W.:
440.34
Type:
---
AlogP:
4.21
Polar Surface Area:
107.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5181801 Name:
(2S,3S,4S,5S)-3-(tert-butyl)-1-(cyclohexanecarbonyl)-4-((5-isopropyl-2-methShow More⌵
Mol. Formula:
C33H46N2O4
M.W.:
534.74
Type:
---
AlogP:
6.56
Polar Surface Area:
78.87
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5178488 Name:
1-(2-methoxy-5-methyl-phenyl)-2-(4-methoxyphenyl)-N-[(2-methyl-5-quinolyl)sShow More⌵
Mol. Formula:
C29H28N2O5S
M.W.:
516.62
Type:
---
AlogP:
4.80
Polar Surface Area:
94.59
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5178232 Name:
2-[6-(difluoromethyl)-2-pyridyl]-1-(2-methoxy-5-methyl-phenyl)-N-[(2-methylShow More⌵
Mol. Formula:
C28H25F2N3O4S
M.W.:
537.59
Type:
---
AlogP:
5.12
Polar Surface Area:
98.25
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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