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ALA5279134 Name:
6-bromo-1-(1H-pyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole
Mol. Formula:
C16H15BrN2
M.W.:
315.21
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.66
Polar Surface Area:
20.72
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5275789 Name:
(5S,11aR)-9-chloro-2-cyclohexyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11aShow More⌵
Mol. Formula:
C26H26ClN3O2S
M.W.:
480.03
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.61
Polar Surface Area:
48.57
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5274468 Name:
(5S,11aR)-9-bromo-2-cyclohexyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-Show More⌵
Mol. Formula:
C26H26BrN3O2S
M.W.:
524.48
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.71
Polar Surface Area:
48.57
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5289415 Name:
(5S,11aR)-2-cyclohexyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydrShow More⌵
Mol. Formula:
C26H27N3O2S
M.W.:
445.59
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.95
Polar Surface Area:
48.57
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5199042 Name:
6-(2-(sec-butylamino)pyrimidin-4-yl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5Show More⌵
Mol. Formula:
C15H17N5OS
M.W.:
315.40
Type:
---
AlogP:
2.73
Polar Surface Area:
72.18
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5198888 Name:
(Z)-2-cyano-N-(5-fluoro-3'-methoxy-2-(pentan-2-yloxy)-[1,1'-biphenyl]-4-yl)Show More⌵
Mol. Formula:
C23H25FN2O4
M.W.:
412.46
Type:
---
AlogP:
5.36
Polar Surface Area:
91.58
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5198288 Name:
(Z)-N-(2-(sec-butoxy)-2',5-difluoro-[1,1'-biphenyl]-4-yl)-2-cyano-3-hydroxyShow More⌵
Mol. Formula:
C21H20F2N2O3
M.W.:
386.40
Type:
---
AlogP:
5.10
Polar Surface Area:
82.35
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5198030 Name:
(S)-N-(2,4-dichloropyridin-3-yl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihShow More⌵
Mol. Formula:
C19H16Cl2F4N6O4
M.W.:
539.27
Type:
---
AlogP:
3.36
Polar Surface Area:
124.16
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5197809 Name:
(S)-N-(2-chloropyridin-3-yl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydroShow More⌵
Mol. Formula:
C19H17ClF4N6O4
M.W.:
504.83
Type:
---
AlogP:
2.71
Polar Surface Area:
124.16
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5197655 Name:
(S)-N-(3-chloro-2-methoxypyridin-4-yl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4Show More⌵
Mol. Formula:
C20H19ClF4N6O5
M.W.:
534.85
Type:
---
AlogP:
2.72
Polar Surface Area:
133.39
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5197464 Name:
(Z)-2-cyano-N-(5-fluoro-3'-methoxy-2-propoxy-[1,1'-biphenyl]-4-yl)-3-hydroxShow More⌵
Mol. Formula:
C21H21FN2O4
M.W.:
384.41
Type:
---
AlogP:
4.58
Polar Surface Area:
91.58
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5197393 Name:
(S)-1-(3-(2-chloro-6-fluorophenylamino)-7-fluoro-4-(1,1,1-trifluoropropan-2Show More⌵
Mol. Formula:
C21H17ClF5N5O4
M.W.:
533.84
Type:
---
AlogP:
4.69
Polar Surface Area:
107.34
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5197263 Name:
(S)-N-(4-chloro-2-methylpyridin-3-yl)-6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,Show More⌵
Mol. Formula:
C20H19ClF4N6O4
M.W.:
518.86
Type:
---
AlogP:
3.02
Polar Surface Area:
124.16
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5197071 Name:
(Z)-2-cyano-N-(2-ethoxy-5-fluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)-3-hydroxyShow More⌵
Mol. Formula:
C20H19FN2O4
M.W.:
370.38
Type:
---
AlogP:
4.19
Polar Surface Area:
91.58
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5196409 Name:
(S)-1-(3-(2-chloro-6-fluorophenylamino)-7-fluoro-1-methyl-4-(1,1,1-trifluorShow More⌵
Mol. Formula:
C22H20ClF5N6O3
M.W.:
546.88
Type:
---
AlogP:
4.44
Polar Surface Area:
99.13
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5196292 Name:
2-Hydroxy-N-(2-isopropyl-5-methyl-4-(4-(trifluoromethyl)-phenoxy)phenyl)pyrShow More⌵
Mol. Formula:
C25H22F3N3O3
M.W.:
469.46
Type:
---
AlogP:
6.54
Polar Surface Area:
75.86
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5206111 Name:
(S)-N-(2-chloro-6-methoxy-4-methylpyridin-3-yl)-6-(4-ethyl-3-(hydroxymethylShow More⌵
Mol. Formula:
C21H21ClF4N6O5
M.W.:
548.88
Type:
---
AlogP:
3.03
Polar Surface Area:
133.39
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5205174 Name:
methyl 6-fluoro-2-(4'-(((S)-12-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-Show More⌵
Mol. Formula:
C53H58FN5O10S
M.W.:
976.14
Type:
---
AlogP:
8.07
Polar Surface Area:
187.74
HBA:
13
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5205042 Name:
(S)-N-(2-(difluoromethyl)-4-methylpyridin-3-yl)-6-(4-ethyl-3-(hydroxymethylShow More⌵
Mol. Formula:
C21H20F6N6O4
M.W.:
534.42
Type:
---
AlogP:
3.30
Polar Surface Area:
124.16
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5203955 Name:
(Z)-N-(2-(sec-butoxy)-5-fluoro-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl)-Show More⌵
Mol. Formula:
C22H20F4N2O4
M.W.:
452.40
Type:
---
AlogP:
5.86
Polar Surface Area:
91.58
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
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