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ALA5268765 Name:
1-[(3-bromophenyl)methyl]-3-[(2,6-dichlorophenyl)-hydroxy-methyl]pyridin-4-Show More⌵
Mol. Formula:
C19H14BrCl2NO2
M.W.:
439.14
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.05
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5277493 Name:
Meleagrin
Mol. Formula:
C23H23N5O4
M.W.:
433.47
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.35
Polar Surface Area:
110.79
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5202156 Name:
Mol. Formula:
C28H33N5O4
M.W.:
503.60
Type:
---
AlogP:
3.65
Polar Surface Area:
99.94
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5196531 Name:
Mol. Formula:
C27H31N5O3
M.W.:
473.58
Type:
---
AlogP:
3.74
Polar Surface Area:
104.70
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA73311 Name:
(4-Hydroxy-phenyl)-(1,3,4,9-tetrahydro-beta-carbolin-2-yl)-methanone
Mol. Formula:
C18H16N2O2
M.W.:
292.34
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
56.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA72122 Name:
(4-Hydroxy-phenyl)-(9-methyl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-methanoShow More⌵
Mol. Formula:
C19H18N2O2
M.W.:
306.37
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
45.47
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA307383 Name:
[2-(4-Hydroxy-benzoyl)-1,2,3,4-tetrahydro-beta-carbolin-9-yl]-acetic acid mShow More⌵
Mol. Formula:
C21H20N2O4
M.W.:
364.40
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
71.77
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA304367 Name:
(9-Benzyl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-(4-hydroxy-phenyl)-methanoShow More⌵
Mol. Formula:
C25H22N2O2
M.W.:
382.46
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
45.47
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA71861 Name:
[9-(3-Hydroxy-benzyl)-1,3,4,9-tetrahydro-beta-carbolin-2-yl]-(4-hydroxy-pheShow More⌵
Mol. Formula:
C25H22N2O3
M.W.:
398.46
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
65.70
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA70368 Name:
5-[2-(4-Hydroxy-benzoyl)-1,2,3,4-tetrahydro-beta-carbolin-9-yl]-pentanoic aShow More⌵
Mol. Formula:
C24H26N2O4
M.W.:
406.48
Type:
Small molecule
AlogP:
3.89
Polar Surface Area:
71.77
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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