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ALA5290486 Name:
4-(4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxa
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Mol. Formula:
C76H95ClN30O15
M.W.:
1704.24
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4546170 Name:
4,4'-(1,1'-binaphthyl-4,4'-diylbis(azanediyl))dibe
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Mol. Formula:
C34H24N2O4
M.W.:
524.58
Type:
Unknown
AlogP:
8.54
Polar Surface Area:
98.66
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4776092 Name:
4-acetamido-N-(2-(3-(2-(2-((R)-3-amino-4-(5-(5-((S
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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
ALA5276924 Name:
4-(4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxa
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Mol. Formula:
C112H131ClN42O21
M.W.:
2437.01
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5268128 Name:
4-(4-(4-acetamido-1-methyl-1H-pyrrole-2-carboxamid
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Mol. Formula:
C88H107ClN34O17
M.W.:
1948.50
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)
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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-(piperi
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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-meth
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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-(pyrrol
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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
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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
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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)
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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]quinoli
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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
ALA4559001 Name:
(R)-2-Amino-3-(1-(2-(bis(2-chloroethyl)amino)-5-bo
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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-tetramet
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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
ALA4553600 Name:
N-((9-(3-(dimethylamino)propyl)-6-(4-methoxyphenyl
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Mol. Formula:
C31H32N4O3
M.W.:
508.62
Type:
Unknown
AlogP:
6.94
Polar Surface Area:
72.57
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4535753 Name:
4-((9-(3-(dimethylamino)propyl)-6-(4-methoxyphenyl
Show More⌵
Mol. Formula:
C31H33N3O2
M.W.:
479.62
Type:
Unknown
AlogP:
6.74
Polar Surface Area:
49.66
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4535290 Name:
butyl 2-(1-(2-(bis(2-chloroethyl)amino)-5-(4,4,5,5
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Mol. Formula:
C36H50BCl2N3O6
M.W.:
702.53
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4534291 Name:
N-((9-(3-(dimethylamino)propyl)-6-(4-methoxyphenyl
Show More⌵
Mol. Formula:
C28H33N3O
M.W.:
427.59
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
29.43
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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