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ALA5266838 Name:
4-[4-(6-piperazin-1-yl-pyridin-3-yl)-phenyl]-2,4-dihydro-[1,2,4]triazole-3-Show More⌵
Mol. Formula:
C17H18N6O
M.W.:
322.37
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.03
Polar Surface Area:
78.84
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5275303 Name:
5-methyl-4-(4-(5-((3-methylbut-2-en-1-yl)oxy)pyrimidin-2-yl)piperazin-1-yl)Show More⌵
Mol. Formula:
C32H36N6O2S
M.W.:
568.75
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.21
Polar Surface Area:
76.50
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5284750 Name:
2-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)propyl 5-(methylsulfonyl)indolinShow More⌵
Mol. Formula:
C24H32N4O4S
M.W.:
472.61
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.49
Polar Surface Area:
92.70
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5271736 Name:
N4-(4-fluorophenyl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Mol. Formula:
C17H13FN6
M.W.:
320.33
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.26
Polar Surface Area:
81.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4877468 Name:
tert-Butyl 4-((6-(5-(methylsulfonyl)-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-Show More⌵
Mol. Formula:
C26H37N5O4S
M.W.:
515.68
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
95.94
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4876465 Name:
tert-Butyl 4-((6-((1-(methanesulfonyl)piperidin-4-yl)amino)pyrimidin-4-yl)(Show More⌵
Mol. Formula:
C21H33F3N6O4S
M.W.:
522.59
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
107.97
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4875358 Name:
tert-butyl 4-((6-(5-(methylsulfonyl)-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-Show More⌵
Mol. Formula:
C24H30F3N5O4S
M.W.:
541.60
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
95.94
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4873459 Name:
tert-Butyl 4-((2-methoxyethyl)(6-(5-(methylsulfonyl)-2,3-dihydro-1H-indol-1Show More⌵
Mol. Formula:
C26H37N5O5S
M.W.:
531.68
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
105.17
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4871114 Name:
tert-Butyl 4-(methyl(6-[5-(methylsulfonyl)-2,3-dihydro-1H-indo1l-1-yl]pyrimShow More⌵
Mol. Formula:
C24H33N5O4S
M.W.:
487.63
Type:
Unknown
AlogP:
3.41
Polar Surface Area:
95.94
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4870635 Name:
N-(1-(3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-4-yl)-6-((1-(mShow More⌵
Mol. Formula:
C21H29F4N7O4S
M.W.:
551.57
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
117.79
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4869157 Name:
N-(1-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)-6-(5-(methylsulfonylShow More⌵
Mol. Formula:
C24H28F3N7O3S
M.W.:
551.60
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
108.56
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4861760 Name:
tert-Butyl 4-(ethyl(6-(5-(methylsulfonyl)-2,3-dihydro-1H-indo1l-1-yl)pyrimiShow More⌵
Mol. Formula:
C25H35N5O4S
M.W.:
501.65
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
95.94
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4858330 Name:
tert-Butyl 4-((cyclopropylmethyl)-(6-(5-(methylsulfony1)-2,3-dihydro-1H-indShow More⌵
Mol. Formula:
C27H37N5O4S
M.W.:
527.69
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
95.94
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4857801 Name:
tert-butyl 4-((6-((1-(methylsulfonyl)azetidin-3-yl)methoxy)pyrimidin-4-yl)(Show More⌵
Mol. Formula:
C20H30F3N5O5S
M.W.:
509.55
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
105.17
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4856239 Name:
tert-Butyl 4-((6-(5-(methylsulfonyl)-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-Show More⌵
Mol. Formula:
C23H31N5O4S
M.W.:
473.60
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
104.73
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4855738 Name:
tert-Butyl 4-((6-((1-(methanesulfonyl)piperidin-4-yl)oxyl)pyrimidin-4-yl)(tShow More⌵
Mol. Formula:
C21H32F3N5O5S
M.W.:
523.58
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
105.17
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4853684 Name:
tert-Butyl 4-((6-((1-(methanesulfonyl)piperidin-4-yl)methyl)amino)pyrimidinShow More⌵
Mol. Formula:
C22H35F3N6O4S
M.W.:
536.62
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
99.18
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4851910 Name:
tert-butyl 4-((6-(1-(methylsulfonyl)azetidin-3-yloxy)pyrimidin-4-yl)(trifluShow More⌵
Mol. Formula:
C19H28F3N5O5S
M.W.:
495.52
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
105.17
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4851479 Name:
6-((1-(Methanesulfonyl)piperidin-4-yl)oxy)-N-(1-(3-(propan-2-yl)-1,2,4-oxadShow More⌵
Mol. Formula:
C21H30F3N7O4S
M.W.:
533.58
Type:
Unknown
AlogP:
2.78
Polar Surface Area:
117.79
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4846489 Name:
tert-butyl 4-((6-((1r,4r)-4-(methylsulfonyl)cyclohexyloxy)pyrimidin-4-yl)(tShow More⌵
Mol. Formula:
C22H33F3N4O5S
M.W.:
522.59
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
101.93
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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