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ALA4482920 Name:
1-{3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl}-3-(5
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Mol. Formula:
C29H32N4O3
M.W.:
484.60
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4474439 Name:
1-{4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl}-3-(1H
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Mol. Formula:
C29H32N4O2
M.W.:
468.60
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
72.20
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4536197 Name:
A_486
Mol. Formula:
C25H24F4N4O5
M.W.:
536.48
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
108.05
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4553259 Name:
1-{3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pro
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Mol. Formula:
C29H31FN4O3
M.W.:
502.59
Type:
Unknown
AlogP:
4.91
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4567158 Name:
1-{4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]bu
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Mol. Formula:
C30H34N4O3
M.W.:
498.63
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4567029 Name:
1-{2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl}-3-(5-
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Mol. Formula:
C28H30N4O3
M.W.:
470.57
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4744893 Name:
5-[2-(dimethylamino)ethyl]-11,12-dihydrobenzo[c][1
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Mol. Formula:
C19H22N2O
M.W.:
294.40
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.87
DETAILS
CLOSE
ALA4740541 Name:
5-[2-(dimethylamino)ethyl]-2,3-dimethoxy-11-methyl
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Mol. Formula:
C21H25N3O4
M.W.:
383.45
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
62.32
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4762373 Name:
N-(((6S,7R)-7-(4-Chloro-3-fluorophenyl)-1,4-oxazep
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Mol. Formula:
C16H23Cl2FN2O3
M.W.:
381.28
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4762043 Name:
N-(((6S,7R)-7-(4-Chloro-3-fluorophenyl)-1,4-oxazep
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Mol. Formula:
C16H23Cl2FN2O3
M.W.:
381.27
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4761826 Name:
N-(((6S,7R)-7-(3,4-Dichlorophenyl)-1,4-oxazepan-6-
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Mol. Formula:
C19H21Cl2FN2O2
M.W.:
399.29
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4572132 Name:
1-{2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]et
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Mol. Formula:
C28H29FN4O3
M.W.:
488.56
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4759148 Name:
5-benzyl-12-[3-(dimethylamino)propyl]benzo[c][1,6]
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Mol. Formula:
C26H27N3O2
M.W.:
413.52
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
43.86
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4756695 Name:
5-[3-(dimethylamino)propyl]-11,12-dihydrobenzo[c][
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Mol. Formula:
C20H24N2O
M.W.:
308.43
Type:
Unknown
AlogP:
3.38
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4579120 Name:
Eannaphane-40
Mol. Formula:
C37H54N4O5
M.W.:
634.86
Type:
Unknown
AlogP:
6.18
Polar Surface Area:
80.10
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4777709 Name:
N-(((6S,7R)-7-(3,4-Dichlorophenyl)-1,4-oxazepan-6-
Show More⌵
Mol. Formula:
C16H23Cl3N2O2
M.W.:
381.73
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4776459 Name:
5-[3-(dimethylamino)propyl]-2,3-dimethoxy-11-methy
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Mol. Formula:
C22H27N3O4
M.W.:
397.48
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
62.32
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4591262 Name:
1-{2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl}-3-(5-
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Mol. Formula:
C27H27FN4O2
M.W.:
458.54
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
72.20
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4587314 Name:
1-{3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pr
Show More⌵
Mol. Formula:
C29H31FN4O3
M.W.:
502.59
Type:
Unknown
AlogP:
4.91
Polar Surface Area:
81.43
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4753874 Name:
N-(((6S,7R)-7-(3,4-Dichlorophenyl)-1,4-oxazepan-6-
Show More⌵
Mol. Formula:
C15H21Cl3N2O3
M.W.:
383.70
Type:
Unknown
AlogP:
2.03
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
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