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ALA5281535 Name:
(S)-3-(2-((S)-1-(3,4-dimethoxyphenyl)ethylamino)pyrimidin-4-yl)-4-isopropylShow More⌵
Mol. Formula:
C20H26N4O4
M.W.:
386.45
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.65
Polar Surface Area:
85.81
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5273919 Name:
4-((S)-1-(4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-ylamino)ethylShow More⌵
Mol. Formula:
C19H21N5O2
M.W.:
351.41
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.50
Polar Surface Area:
91.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA5273829 Name:
(S)-3-(2-((S)-1-(3,4-dichlorophenyl)ethylamino)pyrimidin-4-yl)-4-isopropyloShow More⌵
Mol. Formula:
C18H20Cl2N4O2
M.W.:
395.29
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.94
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5290108 Name:
(4R)-4-isopropyl-3-(2-((1-phenylethyl)amino)pyrimidin-4-yl)oxazolidin-2-one
Mol. Formula:
C18H22N4O2
M.W.:
326.40
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.63
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA5269195 Name:
(S)-3-(2-((S)-1-(biphenyl-4-yl)ethylamino)pyrimidin-4-yl)-4-isopropyloxazolShow More⌵
Mol. Formula:
C24H26N4O2
M.W.:
402.50
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.30
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5267963 Name:
(S)-3-(2-((S)-1-(3-fluorophenyl)ethylamino)pyrimidin-4-yl)-4-isopropyloxazoShow More⌵
Mol. Formula:
C18H21FN4O2
M.W.:
344.39
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.77
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA5272583 Name:
(4S)-4-isopropyl-3-(2-((1-phenylethyl)amino)pyrimidin-4-yl)oxazolidin-2-one
Mol. Formula:
C18H22N4O2
M.W.:
326.40
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.63
Polar Surface Area:
67.35
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA5093800 Name:
(8-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-5,11-dihydro-6H-dipyrido[Show More⌵
Mol. Formula:
C26H33N5O3
M.W.:
463.58
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
79.82
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5093219 Name:
(3-fluoro-8-(1-methyl-1H-pyrazol-4-yl)-5,11-dihydro-6H-benzo[b]pyrido[2,3-eShow More⌵
Mol. Formula:
C25H28FN5O3
M.W.:
465.53
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
81.51
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5093059 Name:
(8-(1,4-dioxan-2-yl)-3-fluoro-5H-benzo[b]pyrido[2,3-e][1,4]diazepin-6(11H)-Show More⌵
Mol. Formula:
C25H30FN3O5
M.W.:
471.53
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
82.15
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5092471 Name:
(8-(1,4-dioxan-2-yl)-9-fluoro-5H-benzo[b]pyrido[2,3-e][1,4]diazepin-6(11H)-Show More⌵
Mol. Formula:
C25H30FN3O5
M.W.:
471.53
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
82.15
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5091910 Name:
(8-(2-oxa-5-azabicyclo[2.2.2]octan-5-yl)-9-fluoro-5H-benzo[b]pyrido[2,3-e][Show More⌵
Mol. Formula:
C28H35FN4O3
M.W.:
494.61
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
66.93
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5089035 Name:
(8-((1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl)-3-fluoro-5,11-dihydro-6H-bShow More⌵
Mol. Formula:
C27H33FN4O4
M.W.:
496.58
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
76.16
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5087775 Name:
(8-(1,4-dioxan-2-yl)-5H-benzo[b]pyrido[2,3-e][1,4]diazepin-6(11H)-yl)((2R,5Show More⌵
Mol. Formula:
C25H31N3O5
M.W.:
453.54
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
82.15
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5084807 Name:
((1r,4r)-4-isopropoxycyclohexyl)(8-morpholino-5H-benzo[b]pyrido[2,3-e][1,4]Show More⌵
Mol. Formula:
C26H34N4O3
M.W.:
450.58
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
66.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5084677 Name:
(8-((1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl)-3-fluoro-5,11-dihydro-6H-bShow More⌵
Mol. Formula:
C28H35FN4O3
M.W.:
494.61
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
66.93
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5084289 Name:
6-{[Trans-4-(1-methylethoxy)cyclohexyl]carbonyl}-8-(2-oxa-5-azabicyclo[2.2.Show More⌵
Mol. Formula:
C28H36N4O3
M.W.:
476.62
Type:
Unknown
AlogP:
5.02
Polar Surface Area:
66.93
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5084182 Name:
(8-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-5,11-dihydro-6H-benzo[b]pShow More⌵
Mol. Formula:
C26H33N5O3
M.W.:
463.58
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
79.82
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5083820 Name:
(8-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-fluoro-5,11-dihydro-6H-Show More⌵
Mol. Formula:
C25H27F4N5O2
M.W.:
505.52
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
60.94
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5083571 Name:
(Trans-4-isopropoxycyclohexyl)(1-((tetrahydro-2H-pyran-4-yl)methyl)-4,9-dihShow More⌵
Mol. Formula:
C25H35N5O3
M.W.:
453.59
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
81.51
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
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