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ALA4476379 Name:
N-decyl-3-hydroxyquinuclidinium bromide
Mol. Formula:
C17H34BrNO
M.W.:
348.37
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4529604 Name:
3-(4-chlorophenyl)-1-(6-methylbenzo[d]thiazol-2-yl
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Mol. Formula:
C24H14ClN3OS
M.W.:
427.92
Type:
Unknown
AlogP:
6.32
Polar Surface Area:
47.78
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4549547 Name:
ethyl 2-(5,6-diethylthieno[2,3-d]pyrimidin-4-ylthi
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Mol. Formula:
C14H18N2O2S2
M.W.:
310.44
Type:
Unknown
AlogP:
3.47
Polar Surface Area:
52.08
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5282721 Name:
7-amino-5-(3-chlorophenyl)-6-cyano-2-[(4-methoxyph
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Mol. Formula:
C27H20ClN7O2
M.W.:
509.96
Type:
---
AlogP:
5.51
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5281943 Name:
5-amino-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-(me
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Mol. Formula:
C20H15N7S2
M.W.:
417.52
Type:
---
AlogP:
4.19
Polar Surface Area:
97.82
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5281340 Name:
3'-(4-fluorobenzoyl)-5'-isobutyl-4'-phenylspiro[in
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Mol. Formula:
C28H27FN2O2
M.W.:
442.53
Type:
---
AlogP:
5.27
Polar Surface Area:
58.20
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5279637 Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,24R)-14,16-dihydroxy-
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Mol. Formula:
C30H46O10
M.W.:
566.69
Type:
---
AlogP:
1.74
Polar Surface Area:
166.14
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5279385 Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14-hydroxy-1
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Mol. Formula:
C31H46O10
M.W.:
578.70
Type:
---
AlogP:
2.17
Polar Surface Area:
155.14
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5278740 Name:
1-((2-(naphthalen-1-yl)-2-phenylhydrazinyl)(phenyl
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Mol. Formula:
C47H40N4O3
M.W.:
708.86
Type:
---
AlogP:
10.95
Polar Surface Area:
60.78
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5287178 Name:
3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-(methylsulf
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Mol. Formula:
C22H16N6OS
M.W.:
412.48
Type:
---
AlogP:
3.84
Polar Surface Area:
91.77
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5287057 Name:
1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selo
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Mol. Formula:
C28H24N2Se
M.W.:
467.47
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5285918 Name:
Mol. Formula:
C14H10N4O2S2
M.W.:
330.39
Type:
---
AlogP:
2.64
Polar Surface Area:
84.25
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5291105 Name:
8-((3-bromobenzyl)oxy)quinoline
Mol. Formula:
C16H12BrNO
M.W.:
314.18
Type:
---
AlogP:
4.58
Polar Surface Area:
22.12
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5290738 Name:
4'-(4-chlorophenyl)-3'-(4-fluorobenzoyl)-5'-isobut
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Mol. Formula:
C28H26ClFN2O2
M.W.:
476.98
Type:
---
AlogP:
5.93
Polar Surface Area:
58.20
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5290415 Name:
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydr
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Mol. Formula:
C30H44O10
M.W.:
564.67
Type:
---
AlogP:
1.52
Polar Surface Area:
166.14
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5289787 Name:
Pyranosyl Nikkomycin C
Mol. Formula:
C22H28N4O10
M.W.:
508.48
Type:
---
AlogP:
-2.48
Polar Surface Area:
237.43
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4461573 Name:
Ethyl 7-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl
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Mol. Formula:
C22H18FN3O5
M.W.:
423.40
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
96.45
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4460383 Name:
N-dodecyl-3-hydroxyquinuclidinium bromide
Mol. Formula:
C19H38BrNO
M.W.:
376.42
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3984350 Name:
2-({3-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]propyl}
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Mol. Formula:
C17H14ClN5S2
M.W.:
387.92
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
56.49
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4644128 Name:
1-[2-[4,5-dimethyl-2-(2-thienyl)imidazol-1-yl]ethy
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Mol. Formula:
C15H22N4S
M.W.:
290.44
Type:
Unknown
AlogP:
2.13
Polar Surface Area:
33.09
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
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