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ALA4870540 Name:
Physachenolide C
Mol. Formula:
C30H40O9
M.W.:
544.64
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
142.89
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA1098066 Name:
(2R*,3S*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-3,4
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Mol. Formula:
C25H22FNO2S
M.W.:
419.52
Type:
Small molecule
AlogP:
5.54
Polar Surface Area:
53.25
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1096037 Name:
(2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophe
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Mol. Formula:
C20H23FO2S
M.W.:
346.47
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
29.46
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4546951 Name:
((6S,7aR)-6-Allyl-7a-((R)-1-(4-methoxyphenyl)propa
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Mol. Formula:
C20H24O4
M.W.:
328.41
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4546922 Name:
(2-(6-Fluoro-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,
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Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4550982 Name:
(2-(4-Methyl-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,
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Mol. Formula:
C22H21N3O4
M.W.:
391.43
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4524729 Name:
((6S,7aR)-6-Allyl-7a-((R)-1-(2,5-difluoro-4-methox
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Mol. Formula:
C20H22F2O4
M.W.:
364.39
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4560939 Name:
((6S,7aR)-6-Allyl-7a-(1-(4-fluorophenyl)propan-2-y
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Mol. Formula:
C19H21FO3
M.W.:
316.37
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4560897 Name:
(2-(4-Fluoro-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,
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Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Unknown
AlogP:
3.95
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4556672 Name:
(N-(5-((S)-2-((3aR,5S)-5-Allyl-6-oxo-3a,4,5,6-tetr
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Mol. Formula:
C22H26FNO5
M.W.:
403.45
Type:
Unknown
AlogP:
3.76
Polar Surface Area:
73.86
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4556495 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(3-methoxyphenyl)propa
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Mol. Formula:
C20H24O4
M.W.:
328.41
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4553192 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(2,5-difluoro-4-methox
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Mol. Formula:
C20H22F2O4
M.W.:
364.39
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4760862 Name:
N-(4-isopropylphenyl)-5-(3-morpholinopropoxy)quino
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Mol. Formula:
C25H31N3O2
M.W.:
405.54
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
46.62
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4539078 Name:
((6S,7aR)-6-Allyl-7a-((R)-1-(2,6-difluoro-4-methox
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Mol. Formula:
C20H22F2O4
M.W.:
364.39
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4537874 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(3-chloro-4-methoxyphe
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Mol. Formula:
C20H23ClO4
M.W.:
362.85
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4537016 Name:
5-Acetyl-N-(4-amino-2-(methylthio)-6-oxo-1,6-dihyd
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Mol. Formula:
C14H16N4O5S2
M.W.:
384.44
Type:
Unknown
AlogP:
1.09
Polar Surface Area:
144.24
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4536068 Name:
((6S,7aR)-6-Allyl-7a-((S)-1-(4-methoxyphenyl)propa
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Mol. Formula:
C20H24O4
M.W.:
328.41
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4530505 Name:
(2-(1H-Indol-6-yl)-1H-imidazol-4-yl)(3,4,5-trimeth
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Mol. Formula:
C21H19N3O4
M.W.:
377.40
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4529824 Name:
(2-(6-(Benzyloxy)-1H-indol-3-yl)-1H-imidazol-4-yl)
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Mol. Formula:
C28H25N3O5
M.W.:
483.52
Type:
Unknown
AlogP:
5.39
Polar Surface Area:
98.46
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4529244 Name:
(2-(1H-Indol-5-yl)-1H-imidazol-4-yl)(3,4,5-trimeth
Show More⌵
Mol. Formula:
C21H19N3O4
M.W.:
377.40
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
89.23
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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