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ALA5281933 Name:
(2S,4R)-1-((R)-2-acetamido-3-((5-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethylShow More⌵
Mol. Formula:
C47H56ClN9O5S3
M.W.:
958.68
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
7.20
Polar Surface Area:
183.80
HBA:
13
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5274024 Name:
1,3-dimethyl-5-(2-(tetrahydro-2H-pyran-4-yl)-1-(2-(trifluoromethoxy)ethyl)-Show More⌵
Mol. Formula:
C22H24F3N3O3
M.W.:
435.45
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.14
Polar Surface Area:
58.28
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5273240 Name:
(R)-4-(5-(3,5-dimethylisoxazol-4-yl)-1-(1-(pyridin-2-yl)ethyl)-1H-pyrrolo[3Show More⌵
Mol. Formula:
C26H22N4O3
M.W.:
438.49
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.68
Polar Surface Area:
94.04
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5286315 Name:
(2S,4R)-1-((R)-2-(tert-butyl)-15-((S)-4-(4-chlorophenyl)-2,9-dimethyl-6H-thShow More⌵
Mol. Formula:
C47H56ClN9O7S2
M.W.:
958.61
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.66
Polar Surface Area:
202.26
HBA:
14
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4869149 Name:
(S)-N5-((1R,3R,5S,6r)-3-hydroxybicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phShow More⌵
Mol. Formula:
C24H26N2O4
M.W.:
406.48
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Unknown
AlogP:
2.24
Polar Surface Area:
87.66
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4763016 Name:
9-Fluoro-3-((trans-4-hydroxycyclohexyl)amino)-11-methylbenzo[f]pyrido[4,3-bShow More⌵
Mol. Formula:
C19H20FN3O3
M.W.:
357.39
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
74.69
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4639128 Name:
4-[2-(Methoxymethyl)-1-[(R)-1-phenylethyl]-8-[(S)-pyrrolidin-3-ylmethoxy]-1Show More⌵
Mol. Formula:
C30H33N5O3
M.W.:
511.63
Type:
Unknown
AlogP:
5.60
Polar Surface Area:
87.23
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4635540 Name:
GSK791
Mol. Formula:
C26H33N5O3
M.W.:
463.58
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
103.26
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4635329 Name:
4-[8-methoxy-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]imidazo[4,5-c]quinolinShow More⌵
Mol. Formula:
C26H26N4O3
M.W.:
442.52
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
75.20
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4580852 Name:
3-(3-(1-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triaShow More⌵
Mol. Formula:
C61H75ClN8O16S5
M.W.:
1372.10
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4577491 Name:
(S)-N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-2-(4-(4-chlorophenyl)-2,3,9-trimetShow More⌵
Mol. Formula:
C25H31ClN6O3S
M.W.:
531.08
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
116.65
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4576135 Name:
(S)-14-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[Show More⌵
Mol. Formula:
C27H33ClN6O7S2
M.W.:
653.18
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
174.10
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4474387 Name:
4-((2-(2-(2-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2Show More⌵
Mol. Formula:
C33H37ClN6O10S
M.W.:
745.21
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
231.63
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4436481 Name:
Tert-butyl (S)-(2-(2-(2-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,Show More⌵
Mol. Formula:
C30H39ClN6O5S
M.W.:
631.20
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
128.96
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4210405 Name:
Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(thiophen-3-yl)-1,2,3,4-tetrahydroquShow More⌵
Mol. Formula:
C20H24N2O3S
M.W.:
372.49
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4209110 Name:
Isopropyl ((2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoShow More⌵
Mol. Formula:
C20H24N2O4
M.W.:
356.42
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
71.78
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4207106 Name:
Isopropyl ((2S,4R)-1-acetyl-6-(furan-3-yl)-2-methyl-1,2,3,4-tetrahydroquinoShow More⌵
Mol. Formula:
C20H24N2O4
M.W.:
356.42
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
71.78
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4206677 Name:
Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-3-yl)-1,2,3,4-tetrahydroqShow More⌵
Mol. Formula:
C20H25N3O3
M.W.:
355.44
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
74.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4205876 Name:
Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(thiophen-2-yl)-1,2,3,4-tetrahydroquShow More⌵
Mol. Formula:
C20H24N2O3S
M.W.:
372.49
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
58.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4202664 Name:
isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-1,2,3,4-tetrahydroqShow More⌵
Mol. Formula:
C20H25N3O3
M.W.:
355.44
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
74.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
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