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ALA5268128 Name:
4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-Show More⌵
Mol. Formula:
C88H107ClN34O17
M.W.:
1948.50
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5276924 Name:
4-(4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrroleShow More⌵
Mol. Formula:
C112H131ClN42O21
M.W.:
2437.01
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5290486 Name:
4-(4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrroleShow More⌵
Mol. Formula:
C76H95ClN30O15
M.W.:
1704.24
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5203679 Name:
5-(4-(diethylamino)butoxy)-2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-4H-chromenShow More⌵
Mol. Formula:
C27H35NO7
M.W.:
485.58
Type:
---
AlogP:
5.00
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5197337 Name:
2-bromo-5-methyl-11H-indolo[3,2-c]quinolin-5-ium
Mol. Formula:
C16H12BrN2+
M.W.:
312.19
Type:
---
AlogP:
4.06
Polar Surface Area:
19.67
HBA:
---
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5190538 Name:
2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-(4-(piperidin-1-yl)butoxy)-4H-chromShow More⌵
Mol. Formula:
C28H35NO7
M.W.:
497.59
Type:
---
AlogP:
5.14
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5186872 Name:
2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-(4-(4-methylpiperazin-1-yl)butoxy)-Show More⌵
Mol. Formula:
C28H36N2O7
M.W.:
512.60
Type:
---
AlogP:
3.90
Polar Surface Area:
82.84
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5185025 Name:
2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-(4-(pyrrolidin-1-yl)butoxy)-4H-chroShow More⌵
Mol. Formula:
C27H33NO7
M.W.:
483.56
Type:
---
AlogP:
4.75
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5183604 Name:
2-(3,4-dimethoxyphenyl)-5-(4-(dipropylamino)butoxy)-3,7-dimethoxy-4H-chromeShow More⌵
Mol. Formula:
C29H39NO7
M.W.:
513.63
Type:
---
AlogP:
5.78
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5178716 Name:
2-(3,4-dimethoxyphenyl)-5-(4-(dipentylamino)butoxy)-3,7-dimethoxy-4H-chromeShow More⌵
Mol. Formula:
C33H47NO7
M.W.:
569.74
Type:
---
AlogP:
7.34
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5177095 Name:
5-(4-(dibutylamino)butoxy)-2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-4H-chromenShow More⌵
Mol. Formula:
C31H43NO7
M.W.:
541.69
Type:
---
AlogP:
6.56
Polar Surface Area:
79.60
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5173814 Name:
N',N'-diethyl-N-(5-methyl-11H-indolo[3,2-c]quinolin-5-ium-9-yl)propane-1,3-Show More⌵
Mol. Formula:
C23H29N4+
M.W.:
361.51
Type:
---
AlogP:
4.44
Polar Surface Area:
34.94
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4788978 Name:
4-acetamido-N-(2-(2-(3-(2-(2-((R)-3-amino-4-(5-(5-((S)-4-(5-(5-(5-(3-(3-(diShow More⌵
Mol. Formula:
C76H98Cl2N32O16
M.W.:
1786.73
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4786737 Name:
4-acetamido-N-(2-((S)-4-(2-(2-((R)-3-amino-4-(5-(5-(3-(5-(5-(3-(3-(dimethylShow More⌵
Mol. Formula:
C65H87Cl2N27O14
M.W.:
1541.49
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4776092 Name:
4-acetamido-N-(2-(3-(2-(2-((R)-3-amino-4-(5-(5-((S)-4-(5-(5-(3-(3-(dimethylShow More⌵
Mol. Formula:
C65H87Cl2N27O14
M.W.:
1541.49
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4592230 Name:
2-(4-benzylpiperazine-1-carbonyl)-10,11-dimethoxy-9H-benzo[c]indolo[3,2,1-iShow More⌵
Mol. Formula:
C32H28N4O4
M.W.:
532.60
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
76.38
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4591287 Name:
N-((9-(3-(dimethylamino)propyl)-6-(4-methoxyphenyl)-9H-carbazol-3-yl)methylShow More⌵
Mol. Formula:
C28H30N4OS
M.W.:
470.64
Type:
Unknown
AlogP:
6.49
Polar Surface Area:
42.32
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4588352 Name:
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(4-(2-methylallyl)-9-oxo-9H-benzo[c]inShow More⌵
Mol. Formula:
C31H32N4O3
M.W.:
508.62
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
75.94
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4559001 Name:
(R)-2-Amino-3-(1-(2-(bis(2-chloroethyl)amino)-5-boronobenzyl)-1H-indol-3-ylShow More⌵
Mol. Formula:
C22H26BCl2N3O4
M.W.:
478.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4558192 Name:
N,N-Bis(2-chloroethyl)-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-Show More⌵
Mol. Formula:
C16H23BCl2N2O4
M.W.:
389.09
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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