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ALA4513270 Name:
2,7-bis(3-(dimethylamino)propyl)-4-(3-(4-(2-((2S,3
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Mol. Formula:
C37H50N8O10
M.W.:
766.85
Type:
Unknown
AlogP:
-0.61
Polar Surface Area:
223.36
HBA:
16
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4483655 Name:
3-(2-(3,7-dimethylocta-2,6-dienyloxy)phenyl)-1-phe
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Mol. Formula:
C25H28O2
M.W.:
360.50
Type:
Unknown
AlogP:
6.65
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4474468 Name:
2-([1,4'-Bipiperidin]-1'-yl)-5-(1-methyl-5-nitro-1
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Mol. Formula:
C16H23N7O2S
M.W.:
377.47
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
93.22
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4535951 Name:
2-([1,4'-Bipiperidine]-1'-yl)-5-(5-nitrofuran-2-yl
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Mol. Formula:
C16H22ClN5O3S
M.W.:
399.90
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
88.54
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4532108 Name:
2-(2-Methyl-6-(3,4,5-trimethoxyphenyl)nicotinoyl)-
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Mol. Formula:
C24H26N4O4S
M.W.:
466.56
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
93.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4556617 Name:
2,4,7-tris(3-(dimethylamino)propyl)-9-(3-(4-(2-((2
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Mol. Formula:
C42H61N9O10
M.W.:
852.00
Type:
Unknown
AlogP:
-0.12
Polar Surface Area:
226.60
HBA:
17
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4569225 Name:
N-(4-Chlorophenyl)-2-(6-(3,4-dimethoxyphenyl)-2-me
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Mol. Formula:
C22H21ClN4O4
M.W.:
440.89
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
101.58
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4567831 Name:
N-(4-Chlorophenyl)-2-(6-(4-methoxyphenyl)-2-methyl
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Mol. Formula:
C21H19ClN4O2S
M.W.:
426.93
Type:
Unknown
AlogP:
4.35
Polar Surface Area:
75.28
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4528864 Name:
N'-(3-(2,3-dimethylphenyl)-4-(2-oxo-2H-chromen-3-y
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Mol. Formula:
C30H21N3O5S
M.W.:
535.58
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
106.81
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4527280 Name:
4-(3-(4-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydrox
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Mol. Formula:
C42H58N8O15
M.W.:
914.97
Type:
Unknown
AlogP:
-2.83
Polar Surface Area:
302.51
HBA:
21
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4549176 Name:
4-(3-(4-((2-(2-(2-((2R,3R,4R,5S,6R)-3,4-dihydroxy-
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Mol. Formula:
C53H81N9O18
M.W.:
1132.28
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4546429 Name:
2-(6-(3,4-Dimethoxyphenyl)-2-methylnicotinoyl)-N-(
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Mol. Formula:
C23H24N4O5
M.W.:
436.47
Type:
Unknown
AlogP:
3.55
Polar Surface Area:
110.81
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4573495 Name:
2-(6-(4-Methoxyphenyl)-2-methylnicotinoyl)-N-pheny
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Mol. Formula:
C21H20N4O3
M.W.:
376.42
Type:
Unknown
AlogP:
3.53
Polar Surface Area:
92.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4571916 Name:
2,4,7-tris(3-(dimethylamino)propyl)-9-(3-(4-((2-(2
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Mol. Formula:
C47H71N9O13
M.W.:
970.13
Type:
Unknown
AlogP:
-0.11
Polar Surface Area:
254.29
HBA:
20
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
30
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4581063 Name:
2,4,7-tris(3-(dimethylamino)propyl)-9-(3-(4-((2-(2
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Mol. Formula:
C47H71N9O13
M.W.:
970.13
Type:
Unknown
AlogP:
-0.11
Polar Surface Area:
254.29
HBA:
20
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
30
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4578528 Name:
N-(4-Methoxyphenyl)-2-(6-(4-methoxyphenyl)-2-methy
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Mol. Formula:
C22H22N4O4
M.W.:
406.44
Type:
Unknown
AlogP:
3.54
Polar Surface Area:
101.58
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4577676 Name:
2-(2-Methyl-6-(3,4,5-trimethoxyphenyl)nicotinoyl)-
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Mol. Formula:
C23H24N4O4S
M.W.:
452.54
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
93.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4780574 Name:
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thia
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Mol. Formula:
C13H10N4O3S
M.W.:
302.31
Type:
Unknown
AlogP:
2.74
Polar Surface Area:
90.40
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4777463 Name:
3-((5aR,8R,9aR)-5,5,8-trimethyl-2-oxo-5a,6,7,8,9,9
Show More⌵
Mol. Formula:
C16H22N2OS2
M.W.:
322.50
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
45.79
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4582661 Name:
4-(3-(4-(2-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydr
Show More⌵
Mol. Formula:
C43H60N8O15
M.W.:
928.99
Type:
Unknown
AlogP:
-2.79
Polar Surface Area:
302.51
HBA:
21
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
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