Compounds

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ALA2312432
Name:
N-(1-(3-Dimethylaminopropyl)-1H-indol-3-ylmethyl)-
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Mol. Formula:
C28H49N3
M.W.:
427.72

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
7.38
Polar Surface Area:
20.20
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
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ALA2312431
Name:
N-((1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)meth
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Mol. Formula:
C26H45N3
M.W.:
399.67

3 activity values

3 unique targets
Type:
Small molecule
AlogP:
6.60
Polar Surface Area:
20.20
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA2312428
Name:
N-((1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)meth
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Mol. Formula:
C22H37N3
M.W.:
343.56

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
5.04
Polar Surface Area:
20.20
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2312423
Name:
3-(1-Benzyl-1H-indol-3-yl)-2-cyano-N-octylacrylami
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Mol. Formula:
C27H31N3O
M.W.:
413.57

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
6.07
Polar Surface Area:
57.82
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
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ALA2312415
Name:
2-cyano-3-(1-(2-hydroxy-3-(pyrrolidin-1-yl)propyl)
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Mol. Formula:
C28H40N4O2
M.W.:
464.65

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
81.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA2312414
Name:
3-(1-(3-Dimethylamino-2-hydroxy-propyl)-1H-indol-3
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Mol. Formula:
C25H36N4O2
M.W.:
424.59

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
81.29
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE